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

Structural Information

Molecular Formula

C₉₉H₁₅₁N₃₃O₂₀S₄

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)CCCCN)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/C99H151N33O20S4/c1-5-53(4)79-95(152)130-76-51-156-155-50-75(92(149)125-69(42-54-24-30-58(133)31-25-54)86(143)119-65(19-8-10-36-100)82(139)117-47-77(136)131-79)129-94(151)78(52(2)3)132-85(142)68(23-15-41-115-99(110)111)122-88(145)71(44-56-28-34-60(135)35-29-56)124-91(148)74(128-89(146)72(45-57-46-116-63-18-7-6-16-61(57)63)123-81(138)62(102)17-12-38-112-96(104)105)49-154-153-48-73(90(147)118-64(80(103)137)21-13-39-113-97(106)107)127-84(141)66(20-9-11-37-101)120-83(140)67(22-14-40-114-98(108)109)121-87(144)70(126-93(76)150)43-55-26-32-59(134)33-27-55/h6-7,16,18,24-35,46,52-53,62,64-76,78-79,116,133-135H,5,8-15,17,19-23,36-45,47-51,100-102H2,1-4H3,(H2,103,137)(H,117,139)(H,118,147)(H,119,143)(H,120,140)(H,121,144)(H,122,145)(H,123,138)(H,124,148)(H,125,149)(H,126,150)(H,127,141)(H,128,146)(H,129,151)(H,130,152)(H,131,136)(H,132,142)(H4,104,105,112)(H4,106,107,113)(H4,108,109,114)(H4,110,111,115)/t53-,62-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,78-,79-/m0/s1

InChIKey

XVVYEJJFHPFAEU-ZBMQGDFQSA-N

Compound name

(1R,4S,7S,10S,13R,18R,21S,24S,27S,30R,33S,39S,42S)-21,39-bis(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-bis(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 16130094