Tachyplesin ii

Structural Information

Molecular Formula

C₁₀₀H₁₅₂N₃₄O₁₉S₄

SMILES

CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1)CCCNC(=N)N)CC3=CC=C(C=C3)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC4=CC=C(C=C4)O)CCCNC(=N)N)CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)C)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CCCNC(=N)N)N)CC7=CC=CC=C7)CCCNC(=N)N)C(C)C

InChI

InChI=1S/C100H152N34O19S4/c1-6-54(4)80-95(153)132-77-52-157-156-51-76(92(150)127-71(44-57-29-33-60(136)34-30-57)86(144)121-66(26-16-40-115-98(107)108)82(140)119-48-78(138)133-80)131-94(152)79(53(2)3)134-85(143)69(28-18-42-117-100(111)112)124-87(145)70(43-56-19-8-7-9-20-56)126-91(149)75(130-89(147)73(46-59-47-118-65-23-11-10-21-62(59)65)125-81(139)63(102)22-14-38-113-96(103)104)50-155-154-49-74(90(148)120-64(55(5)135)25-15-39-114-97(105)106)129-84(142)67(24-12-13-37-101)122-83(141)68(27-17-41-116-99(109)110)123-88(146)72(128-93(77)151)45-58-31-35-61(137)36-32-58/h7-11,19-21,23,29-36,47,53-54,63-64,66-77,79-80,118,136-137H,6,12-18,22,24-28,37-46,48-52,101-102H2,1-5H3,(H,119,140)(H,120,148)(H,121,144)(H,122,141)(H,123,146)(H,124,145)(H,125,139)(H,126,149)(H,127,150)(H,128,151)(H,129,142)(H,130,147)(H,131,152)(H,132,153)(H,133,138)(H,134,143)(H4,103,104,113)(H4,105,106,114)(H4,107,108,115)(H4,109,110,116)(H4,111,112,117)/t54-,63-,64-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,79-,80-/m0/s1

InChIKey

VMAGWLOHJBPKIA-DAESJHERSA-N

Compound name

(1R,4S,7S,10S,13R,18R,21S,24S,27S,30R,33S,39S,42S)-21-(4-aminobutyl)-13-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-10-benzyl-33-[(2S)-butan-2-yl]-N-[(3S)-6-carbamimidamido-2-oxohexan-3-yl]-7,24,39-tris(3-carbamimidamidopropyl)-27,42-bis[(4-hydroxyphenyl)methyl]-3,6,9,12,20,23,26,29,32,35,38,41,44-tridecaoxo-4-propan-2-yl-15,16,46,47-tetrathia-2,5,8,11,19,22,25,28,31,34,37,40,43-tridecazabicyclo[28.14.4]octatetracontane-18-carboxamide

Related CIDs

• CID 16129722