H-arg-arg-nal-cys-tyr-arg-lys-dcit-pro-tyr-arg-cit-cys-arg-nh2

Structural Information

Molecular Formula

C₉₀H₁₄₁N₃₅O₁₈S₂

SMILES

C1C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2C1)CCCNC(=O)N)CCCCN)CCCNC(=N)N)CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CC5=CC=CC=C5C=C4)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)CCCNC(=O)N)CCCNC(=N)N)CC6=CC=C(C=C6)O

InChI

InChI=1S/C90H141N35O18S2/c91-34-4-3-16-58-74(132)119-63(22-11-41-112-90(105)143)83(141)125-42-12-23-69(125)82(140)122-65(45-50-27-32-55(127)33-28-50)78(136)118-61(20-9-39-110-88(102)103)73(131)116-62(21-10-40-111-89(104)142)76(134)123-67(80(138)113-57(70(93)128)17-6-36-107-85(96)97)47-144-145-48-68(81(139)121-64(44-49-25-30-54(126)31-26-49)77(135)117-60(72(130)115-58)19-8-38-109-87(100)101)124-79(137)66(46-51-24-29-52-13-1-2-14-53(52)43-51)120-75(133)59(18-7-37-108-86(98)99)114-71(129)56(92)15-5-35-106-84(94)95/h1-2,13-14,24-33,43,56-69,126-127H,3-12,15-23,34-42,44-48,91-92H2,(H2,93,128)(H,113,138)(H,114,129)(H,115,130)(H,116,131)(H,117,135)(H,118,136)(H,119,132)(H,120,133)(H,121,139)(H,122,140)(H,123,134)(H,124,137)(H4,94,95,106)(H4,96,97,107)(H4,98,99,108)(H4,100,101,109)(H4,102,103,110)(H3,104,111,142)(H3,105,112,143)/t56-,57-,58-,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,69-/m0/s1

InChIKey

SSYAKXOIFAQZQE-LNDHEDFZSA-N

Compound name

(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-6-(4-aminobutyl)-N-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-15-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-9,26-bis(3-carbamimidamidopropyl)-3,23-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 16130649