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

Structural Information

Molecular Formula

C₈₆H₁₄₅N₃₃O₁₈S₂

SMILES

C1CCC(CC1)C[C@@H](C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC4=CC=C(C=C4)O)CCCNC(=N)N)CCCCN)CCCCN)CC5=CC=C(C=C5)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C86H145N33O18S2/c87-34-6-4-18-54-70(125)112-59(19-5-7-35-88)79(134)119-42-14-25-66(119)78(133)116-63(45-50-28-32-52(121)33-29-50)74(129)111-57(22-11-39-104-84(96)97)69(124)109-58(23-12-41-106-86(100)137)72(127)117-64(76(131)113-60(80(135)136)24-13-40-105-85(98)99)46-138-139-47-65(77(132)115-62(44-49-26-30-51(120)31-27-49)73(128)110-56(68(123)108-54)21-10-38-103-83(94)95)118-75(130)61(43-48-15-2-1-3-16-48)114-71(126)55(20-9-37-102-82(92)93)107-67(122)53(89)17-8-36-101-81(90)91/h26-33,48,53-66,120-121H,1-25,34-47,87-89H2,(H,107,122)(H,108,123)(H,109,124)(H,110,128)(H,111,129)(H,112,125)(H,113,131)(H,114,126)(H,115,132)(H,116,133)(H,117,127)(H,118,130)(H,135,136)(H4,90,91,101)(H4,92,93,102)(H4,94,95,103)(H4,96,97,104)(H4,98,99,105)(H3,100,106,137)/t53-,54-,55-,56-,57-,58-,59+,60-,61-,62-,63-,64-,65-,66-/m0/s1

InChIKey

OPHZVBGAXGWRNZ-NLJNEHOZSA-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-cyclohexylpropanoyl]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 16204779