145453755 CDK 1106201350 34 35 0 0 0 0 0 0 0 0999 V2000 6.5377 -0.9045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3450 -0.7343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2814 -1.6886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2178 -2.6430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7557 2.0622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1795 -0.4605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0504 0.6639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8596 -3.5268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9596 -0.3941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5358 2.1286 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3974 2.5060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5993 3.0830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2411 3.5268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9232 -1.2448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1159 -1.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2431 0.4938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8596 -2.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4086 0.2199 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0789 -2.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6649 1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9868 -0.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6921 1.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -3.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6013 0.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4722 1.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3411 -2.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4742 -1.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -2.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7285 1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -3.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9484 1.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -2.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -3.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7920 2.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 24 2 0 0 0 0 3 27 1 0 0 0 0 4 27 2 0 0 0 0 5 31 2 0 0 0 0 14 6 1 6 0 0 0 6 21 1 0 0 0 0 16 7 1 6 0 0 0 7 24 1 0 0 0 0 8 23 1 0 0 0 0 8 26 1 0 0 0 0 18 9 1 6 0 0 0 10 29 1 0 0 0 0 10 34 2 0 0 0 0 11 31 1 0 0 0 0 12 34 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 17 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 17 26 2 0 0 0 0 18 20 1 0 0 0 0 18 24 1 0 0 0 0 19 23 1 0 0 0 0 19 28 2 0 0 0 0 20 25 1 0 0 0 0 22 31 1 0 0 0 0 23 30 2 0 0 0 0 25 29 1 0 0 0 0 28 32 1 0 0 0 0 30 33 1 0 0 0 0 32 33 2 0 0 0 0 M END > CHEBI:158795 > Arg-Asn-Trp > 2 > (2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid > C21H30N8O5 > 474.522 > 474.23392 > 0 > O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)CC(=O)N > InChI=1S/C21H30N8O5/c22-13(5-3-7-26-21(24)25)18(31)28-15(9-17(23)30)19(32)29-16(20(33)34)8-11-10-27-14-6-2-1-4-12(11)14/h1-2,4,6,10,13,15-16,27H,3,5,7-9,22H2,(H2,23,30)(H,28,31)(H,29,32)(H,33,34)(H4,24,25,26)/t13-,15-,16-/m0/s1 > OCOZPTHLDVSFCZ-BPUTZDHNSA-N $$$$