Mrv0541 03181414292D 57 59 0 0 0 0 999 V2000 -3.2260 -2.7123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0661 0.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7934 -2.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3472 1.3954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7934 -3.5351 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0715 0.1714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5078 -2.2976 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7581 1.4392 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7854 -0.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5078 -1.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7933 -1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0789 -2.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3644 -3.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3644 -2.7101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0789 -3.9476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3500 -3.9476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0789 -4.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7934 -5.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0991 -5.4626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 -4.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8796 -6.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6866 -6.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3276 -6.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9415 -6.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5825 -7.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3895 -7.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 -0.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7827 -3.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2289 0.1600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7827 -4.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5046 -1.0639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0682 -3.5330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8180 0.2038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4972 -3.5330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7907 -1.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0682 -2.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7828 -2.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7485 -7.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0034 -7.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3005 -6.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5453 -7.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0305 -8.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2854 -8.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2235 -7.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4471 -8.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9595 -4.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7845 -4.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6912 -3.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3720 -3.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2116 -3.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9261 -3.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6406 -3.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3550 -3.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6406 -4.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3550 -5.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0695 -4.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0695 -3.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 2 2 0 0 0 0 6 2 1 0 0 0 0 8 2 1 0 0 0 0 7 3 1 0 0 0 0 5 3 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 7 1 1 1 0 0 0 11 9 1 0 0 0 0 11 10 1 0 0 0 0 3 12 2 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 16 13 1 0 0 0 0 15 5 1 6 0 0 0 17 15 1 0 0 0 0 20 18 2 0 0 0 0 21 18 1 0 0 0 0 17 18 1 0 0 0 0 20 19 1 0 0 0 0 22 19 1 0 0 0 0 22 21 2 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 23 2 0 0 0 0 26 24 2 0 0 0 0 26 25 1 0 0 0 0 29 27 2 0 0 0 0 31 27 1 0 0 0 0 33 27 1 0 0 0 0 32 28 1 0 0 0 0 30 28 2 0 0 0 0 34 28 1 0 0 0 0 35 31 1 0 0 0 0 36 32 1 0 0 0 0 32 16 1 1 0 0 0 37 35 1 0 0 0 0 37 36 1 0 0 0 0 24 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 25 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 20 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 34 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 53 52 1 0 0 0 0 52 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 53 57 2 0 0 0 0 M END > CHEBI:77752 > LTX-109 > A tripeptide that is the 2-phenylethyl amide of L-arginyl-2,5,7-tri-tert-butyl-L-tryptophyl-L-arginine > 3 > L-arginyl-2,5,7-tri-tert-butyl-L-tryptophyl-N-(2-phenylethyl)-L-argininamide > C43H69N11O3 > 788.07990 > 787.55849 > 0 > CC(C)(C)c1[nH]c2c(cc(cc2c1C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCc1ccccc1)C(C)(C)C)C(C)(C)C > InChI=1S/C43H69N11O3/c1-41(2,3)27-23-28-29(35(43(7,8)9)54-34(28)30(24-27)42(4,5)6)25-33(53-36(55)31(44)17-13-20-50-39(45)46)38(57)52-32(18-14-21-51-40(47)48)37(56)49-22-19-26-15-11-10-12-16-26/h10-12,15-16,23-24,31-33,54H,13-14,17-22,25,44H2,1-9H3,(H,49,56)(H,52,57)(H,53,55)(H4,45,46,50)(H4,47,48,51)/t31-,32-,33-/m0/s1 > ZVOYWSKEBVVLGW-ZDCRTTOTSA-N > 1166254-80-3 > 21795620 > 1166254-80-3 > 21732630; 22585222 $$$$