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

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

InChI

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

KWXVGZKGTNZASQ-DTBIXRLSSA-N

Compound name

(2S)-2-[[(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)-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-carbonyl]amino]-5-carbamimidamidopentanoic acid

Related CIDs

• CID 16131719