Nh2-arg-trp-cys(x2)-tyr-arg-lys-cys(x1)-phe-lys-gly-phe-cys(x1)-tyr-arg-lys-cys(x2)-arg-nh2

Structural Information

Molecular Formula

C₁₀₃H₁₅₂N₃₄O₁₉S₄

SMILES

C1[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CSS1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CCCCN)CCCNC(=N)N)CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCCNC(=N)N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)CCCCN)CCCNC(=N)N)CC6=CC=C(C=C6)O)CC7=CC=CC=C7)CCCCN)CC8=CC=CC=C8

InChI

InChI=1S/C103H152N34O19S4/c104-40-12-9-26-69-86(143)122-53-83(140)123-74(47-58-19-3-1-4-20-58)91(148)136-81-56-159-158-55-80(97(154)131-75(92(149)125-69)48-59-21-5-2-6-22-59)135-90(147)71(28-11-14-42-106)127-88(145)73(31-18-46-120-103(115)116)129-94(151)77(50-61-34-38-64(139)39-35-61)133-99(156)82(137-95(152)78(51-62-52-121-67-25-8-7-23-65(62)67)130-85(142)66(107)24-15-43-117-100(109)110)57-160-157-54-79(96(153)124-68(84(108)141)29-16-44-118-101(111)112)134-89(146)70(27-10-13-41-105)126-87(144)72(30-17-45-119-102(113)114)128-93(150)76(132-98(81)155)49-60-32-36-63(138)37-33-60/h1-8,19-23,25,32-39,52,66,68-82,121,138-139H,9-18,24,26-31,40-51,53-57,104-107H2,(H2,108,141)(H,122,143)(H,123,140)(H,124,153)(H,125,149)(H,126,144)(H,127,145)(H,128,150)(H,129,151)(H,130,142)(H,131,154)(H,132,155)(H,133,156)(H,134,146)(H,135,147)(H,136,148)(H,137,152)(H4,109,110,117)(H4,111,112,118)(H4,113,114,119)(H4,115,116,120)/t66-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-/m0/s1

InChIKey

WODRDYAWDQMUBN-LFASIDCTSA-N

Compound name

(1R,4S,7S,10S,13R,18R,21S,24S,27S,30R,33S,39S,42S)-4,21,39-tris(4-aminobutyl)-N-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-13-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-33,42-dibenzyl-7,24-bis(3-carbamimidamidopropyl)-10,27-bis[(4-hydroxyphenyl)methyl]-3,6,9,12,20,23,26,29,32,35,38,41,44-tridecaoxo-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 16197739