H-arg-arg-bpal-cys(x1)-tyr-arg-lys-d-lys-pro-tyr-arg-cit-cys(x1)-arg-oh

Structural Information

Molecular Formula

C₉₂H₁₄₃N₃₃O₁₈S₂

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)CCCCN)CCCCN)CCCNC(=N)N)CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CC=C(C=C4)C5=CC=CC=C5)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)O)CCCNC(=O)N)CCCNC(=N)N)CC6=CC=C(C=C6)O

InChI

InChI=1S/C92H143N33O18S2/c93-38-6-4-18-60-76(131)118-65(19-5-7-39-94)85(140)125-46-14-25-72(125)84(139)122-69(49-54-30-36-58(127)37-31-54)80(135)117-63(22-11-43-110-90(102)103)75(130)115-64(23-12-45-112-92(106)143)78(133)123-70(82(137)119-66(86(141)142)24-13-44-111-91(104)105)50-144-145-51-71(83(138)121-67(48-53-28-34-57(126)35-29-53)79(134)116-62(74(129)114-60)21-10-42-109-89(100)101)124-81(136)68(47-52-26-32-56(33-27-52)55-15-2-1-3-16-55)120-77(132)61(20-9-41-108-88(98)99)113-73(128)59(95)17-8-40-107-87(96)97/h1-3,15-16,26-37,59-72,126-127H,4-14,17-25,38-51,93-95H2,(H,113,128)(H,114,129)(H,115,130)(H,116,134)(H,117,135)(H,118,131)(H,119,137)(H,120,132)(H,121,138)(H,122,139)(H,123,133)(H,124,136)(H,141,142)(H4,96,97,107)(H4,98,99,108)(H4,100,101,109)(H4,102,103,110)(H4,104,105,111)(H3,106,112,143)/t59-,60-,61-,62-,63-,64-,65+,66-,67-,68-,69-,70-,71-,72-/m0/s1

InChIKey

GOUPFYPHUVYKIZ-DTBIXRLSSA-N

Compound name

(2S)-2-[[(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-3,6-bis(4-aminobutyl)-15-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-phenylphenyl)propanoyl]amino]-9,26-bis(3-carbamimidamidopropyl)-23-[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 16204783