T7

Structural Information

Molecular Formula

C₉₇H₁₅₀N₃₄O₁₇S₄

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=CC=C3)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=CC=C4)CCCNC(=N)N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CCCCN)N)CC6=CC=CC=C6)CCCNC(=N)N)C(C)C

InChI

InChI=1S/C97H150N34O17S4/c1-5-55(4)76-92(148)129-73-53-152-151-52-72(89(145)124-67(46-57-27-12-7-13-28-57)83(139)118-62(35-21-41-112-94(103)104)79(135)116-49-74(132)130-76)128-91(147)75(54(2)3)131-82(138)65(38-24-44-115-97(109)110)121-85(141)69(48-59-31-16-9-17-32-59)123-88(144)71(127-86(142)66(45-56-25-10-6-11-26-56)122-78(134)60(99)33-18-19-39-98)51-150-149-50-70(87(143)117-61(77(100)133)34-20-40-111-93(101)102)126-81(137)64(37-23-43-114-96(107)108)119-80(136)63(36-22-42-113-95(105)106)120-84(140)68(125-90(73)146)47-58-29-14-8-15-30-58/h6-17,25-32,54-55,60-73,75-76H,5,18-24,33-53,98-99H2,1-4H3,(H2,100,133)(H,116,135)(H,117,143)(H,118,139)(H,119,136)(H,120,140)(H,121,141)(H,122,134)(H,123,144)(H,124,145)(H,125,146)(H,126,137)(H,127,142)(H,128,147)(H,129,148)(H,130,132)(H,131,138)(H4,101,102,111)(H4,103,104,112)(H4,105,106,113)(H4,107,108,114)(H4,109,110,115)/t55-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,75-,76-/m0/s1

InChIKey

RJKPUXXYSCWZCM-WQOVOTEASA-N

Compound name

(1R,4S,7S,10S,13R,18R,21S,24S,27S,30R,33S,39S,42S)-N-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-10,27,42-tribenzyl-33-[(2S)-butan-2-yl]-7,21,24,39-tetrakis(3-carbamimidamidopropyl)-13-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenylpropanoyl]amino]-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 16130087