R-w-c-y-r-k-c-y-r-g-i-c-y-r-k-c-r-c-nh2

Structural Information

Molecular Formula

C₉₉H₁₅₁N₃₅O₂₀S₄

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)N)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CCCNC(=N)N)N)CC7=CC=C(C=C7)O)CCCNC(=N)N)C(C)C

InChI

InChI=1S/C99H151N35O20S4/c1-5-52(4)78-94(154)132-75-50-158-157-49-74(91(151)127-68(41-53-23-29-57(135)30-24-53)85(145)121-64(20-12-38-115-97(107)108)81(141)119-46-76(138)133-78)131-93(153)77(51(2)3)134-84(144)67(22-14-40-117-99(111)112)124-87(147)70(43-55-27-33-59(137)34-28-55)126-90(150)73(130-88(148)71(44-56-45-118-62-17-7-6-15-60(56)62)125-80(140)61(101)16-10-36-113-95(103)104)48-156-155-47-72(89(149)120-63(79(102)139)19-11-37-114-96(105)106)129-83(143)65(18-8-9-35-100)122-82(142)66(21-13-39-116-98(109)110)123-86(146)69(128-92(75)152)42-54-25-31-58(136)32-26-54/h6-7,15,17,23-34,45,51-52,61,63-75,77-78,118,135-137H,5,8-14,16,18-22,35-44,46-50,100-101H2,1-4H3,(H2,102,139)(H,119,141)(H,120,149)(H,121,145)(H,122,142)(H,123,146)(H,124,147)(H,125,140)(H,126,150)(H,127,151)(H,128,152)(H,129,143)(H,130,148)(H,131,153)(H,132,154)(H,133,138)(H,134,144)(H4,103,104,113)(H4,105,106,114)(H4,107,108,115)(H4,109,110,116)(H4,111,112,117)/t52-,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,77-,78-/m0/s1

InChIKey

FQEMYYMGZFTKOT-VTAQDXJPSA-N

Compound name

(1R,4S,7S,10S,13R,18R,21S,24S,27S,30R,33S,39S,42S)-21-(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-[(2S)-butan-2-yl]-7,24,39-tris(3-carbamimidamidopropyl)-10,27,42-tris[(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 16130091