Marvin 05011310492D 44 47 0 0 1 0 999 V2000 8.8915 -8.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8915 -9.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1770 -8.2392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6060 -8.2392 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 -8.6517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1770 -7.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 -7.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7481 -7.4141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 -6.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0349 -9.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3406 -10.1668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7886 -9.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1212 -10.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0349 -8.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3204 -9.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9281 -10.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3205 -8.6517 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0349 -7.4141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7494 -8.6517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5691 -11.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1831 -11.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8240 -12.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6310 -12.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1706 -8.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4600 -7.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4600 -8.2415 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1706 -9.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8812 -8.2415 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1753 -7.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4711 -6.7298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9209 -7.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2617 -6.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0628 -6.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7100 -5.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3177 -5.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9649 -4.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7660 -4.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3101 -8.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5956 -8.6540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3101 -7.4164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0246 -8.6540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5956 -9.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3101 -9.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8812 -9.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 3 5 1 1 0 0 0 6 3 1 0 0 0 0 7 6 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 12 10 2 0 0 0 0 13 10 1 0 0 0 0 15 10 1 0 0 0 0 12 11 1 0 0 0 0 16 11 1 0 0 0 0 16 13 2 0 0 0 0 20 13 1 0 0 0 0 17 14 1 0 0 0 0 18 14 2 0 0 0 0 19 14 1 0 0 0 0 17 15 1 0 0 0 0 21 16 1 0 0 0 0 17 4 1 6 0 0 0 22 20 2 0 0 0 0 23 21 2 0 0 0 0 23 22 1 0 0 0 0 26 24 1 0 0 0 0 27 24 2 0 0 0 0 28 24 1 0 0 0 0 26 25 1 0 0 0 0 26 19 1 1 0 0 0 31 29 2 0 0 0 0 32 29 1 0 0 0 0 25 29 1 0 0 0 0 31 30 1 0 0 0 0 33 30 1 0 0 0 0 33 32 2 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 2 0 0 0 0 37 35 2 0 0 0 0 37 36 1 0 0 0 0 39 38 1 0 0 0 0 40 38 2 0 0 0 0 41 38 1 0 0 0 0 39 28 1 6 0 0 0 42 39 1 0 0 0 0 43 42 1 0 0 0 0 44 42 1 0 0 0 0 M END > CHEBI:73440 > Asp-Trp-Trp-Val > A tetrapeptide composed of L-aspartic acid, two L-tryptophan units and L-valine joined in sequence by peptide linkages. > 3 > L-Asp-L-Trp-L-Trp-L-Val; DWWV; D-W-W-V > L-alpha-aspartyl-L-tryptophyl-L-tryptophyl-L-valine > C31H36N6O7 > 604.65350 > 604.26455 > 0 > CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(O)=O)C(O)=O > InChI=1S/C31H36N6O7/c1-16(2)27(31(43)44)37-30(42)25(12-18-15-34-23-10-6-4-8-20(18)23)36-29(41)24(35-28(40)21(32)13-26(38)39)11-17-14-33-22-9-5-3-7-19(17)22/h3-10,14-16,21,24-25,27,33-34H,11-13,32H2,1-2H3,(H,35,40)(H,36,41)(H,37,42)(H,38,39)(H,43,44)/t21-,24-,25-,27-/m0/s1 > KBWLCLABEAMUIU-DJESZUOASA-N $$$$