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

Structural Information

Molecular Formula

C₉₂H₁₄₃N₃₃O₁₉S₂

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(=N)N)CCCNC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N

InChI

InChI=1S/C92H143N33O19S2/c1-51(126)112-60(20-9-39-107-88(98)99)74(130)115-64(22-11-41-109-90(102)103)78(134)120-69(48-54-26-31-55-15-2-3-16-56(55)45-54)82(138)124-71-50-146-145-49-70(83(139)113-59(73(95)129)19-8-38-106-87(96)97)123-79(135)65(24-13-43-111-92(105)144)116-76(132)62(21-10-40-108-89(100)101)118-81(137)68(47-53-29-34-58(128)35-30-53)122-85(141)72-25-14-44-125(72)86(142)66(18-5-7-37-94)119-77(133)61(17-4-6-36-93)114-75(131)63(23-12-42-110-91(104)143)117-80(136)67(121-84(71)140)46-52-27-32-57(127)33-28-52/h2-3,15-16,26-35,45,59-72,127-128H,4-14,17-25,36-44,46-50,93-94H2,1H3,(H2,95,129)(H,112,126)(H,113,139)(H,114,131)(H,115,130)(H,116,132)(H,117,136)(H,118,137)(H,119,133)(H,120,134)(H,121,140)(H,122,141)(H,123,135)(H,124,138)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H3,104,110,143)(H3,105,111,144)/t59-,60-,61-,62-,63-,64-,65-,66+,67-,68-,69-,70-,71-,72-/m0/s1

InChIKey

WFFIPRWHHWRUSK-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]-26-(3-carbamimidamidopropyl)-9,23-bis[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 16131685