Marvin 05171209112D 115120 0 0 1 0 999 V2000 10.6315 -14.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0606 -13.9236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9172 -13.5110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3462 -13.5110 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6317 -12.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6315 -13.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3462 -12.6860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7751 -12.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2041 -13.5111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4896 -13.9236 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7751 -13.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4896 -14.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9184 -14.7486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6331 -13.5112 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3472 -14.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9184 -13.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3475 -13.9238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6333 -12.6862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2043 -12.6860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6335 -11.0362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9190 -11.4486 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4900 -11.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9189 -12.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2045 -11.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9191 -9.7986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3481 -9.7987 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6335 -10.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0625 -10.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3481 -8.9737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9192 -8.9737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9192 -7.3236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6336 -7.7361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0626 -7.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6336 -8.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3481 -7.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0626 -8.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7772 -7.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4916 -7.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4916 -8.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7770 -8.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2048 -8.5611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7757 -7.7361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4902 -7.3236 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2048 -7.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0613 -7.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3467 -7.7363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6323 -7.3236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3173 -8.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0613 -6.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2033 -7.3236 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9179 -7.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2033 -6.4986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4889 -7.7361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9177 -6.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9179 -8.5611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4889 -8.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7744 -8.9736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0599 -8.5611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3455 -9.7986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6309 -8.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3455 -9.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9165 -8.9736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2020 -7.7361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7730 -8.5611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -8.9736 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2020 -8.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -9.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9177 -5.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6323 -4.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6323 -4.0237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0159 -8.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7452 -8.5848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9853 -9.7950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4901 -6.4986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2046 -6.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2045 -5.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9191 -6.4986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9190 -4.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6335 -6.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6335 -5.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0625 -11.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7298 -11.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3949 -11.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4748 -12.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6498 -12.3058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0290 -12.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8265 -12.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0697 -11.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5155 -11.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7756 -11.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0611 -11.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3466 -11.0358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0620 -13.5115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7751 -15.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0606 -14.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7750 -15.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3461 -15.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0605 -16.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3461 -15.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0607 -12.2736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0591 -13.5109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4882 -12.6859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3448 -12.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8032 -12.2145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0591 -12.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2027 -13.9235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4882 -13.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2027 -14.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4881 -15.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2033 -8.9736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7675 -13.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7744 -9.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8032 -11.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5177 -10.9770 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4888 -10.2111 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 4 2 1 6 0 0 0 6 3 1 0 0 0 0 6 4 1 0 0 0 0 7 4 1 0 0 0 0 7 5 1 1 0 0 0 8 11 2 0 0 0 0 10 9 1 1 0 0 0 11 2 1 0 0 0 0 11 10 1 0 0 0 0 12 10 1 0 0 0 0 13 16 2 0 0 0 0 14 18 1 1 0 0 0 16 9 1 0 0 0 0 16 14 1 0 0 0 0 17 14 1 0 0 0 0 17 15 1 6 0 0 0 19 23 2 0 0 0 0 21 20 1 6 0 0 0 23 18 1 0 0 0 0 23 21 1 0 0 0 0 24 21 1 0 0 0 0 24 22 1 0 0 0 0 27 20 1 0 0 0 0 25 27 2 0 0 0 0 26 29 1 1 0 0 0 27 26 1 0 0 0 0 28 26 1 0 0 0 0 30 34 2 0 0 0 0 32 31 1 1 0 0 0 34 29 1 0 0 0 0 34 32 1 0 0 0 0 35 32 1 0 0 0 0 35 33 1 0 0 0 0 36 33 2 0 0 0 0 33 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 36 40 1 0 0 0 0 41 44 2 0 0 0 0 43 42 1 1 0 0 0 44 31 1 0 0 0 0 44 43 1 0 0 0 0 45 46 1 0 0 0 0 45 42 1 0 0 0 0 46 47 1 6 0 0 0 46 48 1 0 0 0 0 49 45 2 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 50 53 1 1 0 0 0 51 47 1 0 0 0 0 52 54 1 0 0 0 0 55 51 2 0 0 0 0 56 57 1 0 0 0 0 57 58 1 6 0 0 0 53 56 1 0 0 0 0 59 61 2 0 0 0 0 60 62 1 0 0 0 0 61 58 1 0 0 0 0 61 60 1 0 0 0 0 63 66 2 0 0 0 0 65 64 1 6 0 0 0 66 62 1 0 0 0 0 66 65 1 0 0 0 0 67 65 1 0 0 0 0 54 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 72 71 1 0 0 0 0 73 71 2 0 0 0 0 48 71 1 0 0 0 0 43 74 1 0 0 0 0 76 75 2 0 0 0 0 77 75 1 0 0 0 0 78 76 1 0 0 0 0 79 77 2 0 0 0 0 80 78 2 0 0 0 0 80 79 1 0 0 0 0 74 75 1 0 0 0 0 82 81 1 0 0 0 0 83 81 2 0 0 0 0 85 83 1 0 0 0 0 85 84 1 0 0 0 0 28 81 1 0 0 0 0 84 86 1 0 0 0 0 87 86 2 0 0 0 0 82 84 2 0 0 0 0 88 87 1 0 0 0 0 89 82 1 0 0 0 0 89 88 2 0 0 0 0 22 90 1 0 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 17 93 1 0 0 0 0 95 94 2 0 0 0 0 96 94 1 0 0 0 0 97 95 1 0 0 0 0 98 96 2 0 0 0 0 99 97 2 0 0 0 0 99 98 1 0 0 0 0 12 94 1 0 0 0 0 7100 1 0 0 0 0 101105 2 0 0 0 0 104102 1 6 0 0 0 105103 1 0 0 0 0 105104 1 0 0 0 0 102107 1 0 0 0 0 106 3 1 1 0 0 0 107106 1 0 0 0 0 108106 1 0 0 0 0 108109 1 0 0 0 0 56110 2 0 0 0 0 107111 2 0 0 0 0 57112 1 0 0 0 0 104113 1 0 0 0 0 113114 1 0 0 0 0 112115 1 0 0 0 0 114115 1 0 0 0 0 M END > CHEBI:64628 > somatostatin > A fourteen-membered heterodetic cyclic peptide comprising the sequence Ala-Gly-Cys-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-Thr-Ser-Cys cyclised by a disulfide bridge between the two Cys residues at positions 3 and 14. > 3 > Synthetic growth hormone release-inhibiting hormone; Somatostatin-14; Somatostatin-1; L-alanylglycyl-L-cysteinyl-L-lysyl-L-asparaginyl-L-phenylalanyl-L-phenylalanyl-L-tryptophyl-L-lysyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-L-cysteine cyclic (3-14) disulfide; Ala-Gly-cyclo-[Cys-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-Thr-Ser-Cys] > L-alanyl-N-[(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-13,25,28-tribenzyl-4-carboxy-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontan-37-yl]glycinamide > somatostatinum; somatostatine; somatostatina; somatostatin > C76H104N18O19S2 > 1637.87800 > 1636.71666 > 0 > C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N > InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1 > NHXLMOGPVYXJNR-ATOGVRKGSA-N > 38916-34-6 > 10148626 > 38916-34-6 > C16022 > D07431 > LSM-5326 > Somatostatin > 21922516; 22129035; 22147011; 22251942; 22483686; 22509294 $$$$