K-w-c-f-r-v-c-f-r-g-i-c-f-r-r-c-r-c-nh2

Structural Information

Molecular Formula

C₉₉H₁₅₁N₃₅O₁₇S₄

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=CNC6=CC=CC=C65)NC(=O)[C@H](CCCCN)N)CC7=CC=CC=C7)CCCNC(=N)N)C(C)C

InChI

InChI=1S/C99H151N35O17S4/c1-5-55(4)78-94(151)132-75-53-155-154-52-74(91(148)127-68(44-56-24-9-6-10-25-56)85(142)121-64(34-20-40-114-96(105)106)81(138)119-49-76(135)133-78)131-93(150)77(54(2)3)134-84(141)67(37-23-43-117-99(111)112)124-87(144)70(46-58-28-13-8-14-29-58)126-90(147)73(130-88(145)71(125-80(137)61(101)31-17-18-38-100)47-59-48-118-62-32-16-15-30-60(59)62)51-153-152-50-72(89(146)120-63(79(102)136)33-19-39-113-95(103)104)129-83(140)66(36-22-42-116-98(109)110)122-82(139)65(35-21-41-115-97(107)108)123-86(143)69(128-92(75)149)45-57-26-11-7-12-27-57/h6-16,24-30,32,48,54-55,61,63-75,77-78,118H,5,17-23,31,33-47,49-53,100-101H2,1-4H3,(H2,102,136)(H,119,138)(H,120,146)(H,121,142)(H,122,139)(H,123,143)(H,124,144)(H,125,137)(H,126,147)(H,127,148)(H,128,149)(H,129,140)(H,130,145)(H,131,150)(H,132,151)(H,133,135)(H,134,141)(H4,103,104,113)(H4,105,106,114)(H4,107,108,115)(H4,109,110,116)(H4,111,112,117)/t55-,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,77-,78-/m0/s1

InChIKey

CPUROBFRORPKRI-YTTNPPOISA-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-(1H-indol-3-yl)propanoyl]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 16130088