Ac-arg-arg-nal-cys-tyr-cit-lys-dlys-pro-tyr-cit-cit-cys-arg-nh2

Structural Information

Molecular Formula

C₉₂H₁₄₂N₃₂O₂₀S₂

SMILES

CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC3=O)CC5=CC=C(C=C5)O)CCCNC(=O)N)CCCCN)CCCCN)CC6=CC=C(C=C6)O)CCCNC(=O)N)CCCNC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N

InChI

InChI=1S/C92H142N32O20S2/c1-51(125)111-60(20-9-39-106-88(98)99)74(129)114-64(21-10-40-107-89(100)101)78(133)119-69(48-54-26-31-55-15-2-3-16-56(55)45-54)82(137)123-71-50-146-145-49-70(83(138)112-59(73(95)128)19-8-38-105-87(96)97)122-79(134)65(24-13-43-110-92(104)144)115-76(131)63(23-12-42-109-91(103)143)117-81(136)68(47-53-29-34-58(127)35-30-53)121-85(140)72-25-14-44-124(72)86(141)66(18-5-7-37-94)118-77(132)61(17-4-6-36-93)113-75(130)62(22-11-41-108-90(102)142)116-80(135)67(120-84(71)139)46-52-27-32-57(126)33-28-52/h2-3,15-16,26-35,45,59-72,126-127H,4-14,17-25,36-44,46-50,93-94H2,1H3,(H2,95,128)(H,111,125)(H,112,138)(H,113,130)(H,114,129)(H,115,131)(H,116,135)(H,117,136)(H,118,132)(H,119,133)(H,120,139)(H,121,140)(H,122,134)(H,123,137)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H3,102,108,142)(H3,103,109,143)(H3,104,110,144)/t59-,60-,61-,62-,63-,64-,65-,66+,67-,68-,69-,70-,71-,72-/m0/s1

InChIKey

BZBBTBLBANGUTQ-XKGCJZEISA-N

Compound name

(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-15-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3,6-bis(4-aminobutyl)-N-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-9,23,26-tris[3-(carbamoylamino)propyl]-12,29-bis[(4-hydroxyphenyl)methyl]-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,4,7,10,13,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-20-carboxamide

Related CIDs

• CID 16131724