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

Structural Information

Molecular Formula

C₈₆H₁₃₉N₃₃O₁₉S₂

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)O)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)CC5=CC=C(C=C5)O

InChI

InChI=1S/C86H139N33O19S2/c87-33-3-1-13-54-70(126)112-59(14-2-4-34-88)79(135)119-41-11-20-66(119)78(134)116-63(44-49-25-31-52(122)32-26-49)74(130)111-57(17-8-38-104-84(96)97)69(125)109-58(18-9-40-106-86(100)138)72(128)117-64(76(132)113-60(80(136)137)19-10-39-105-85(98)99)45-139-140-46-65(77(133)115-61(42-47-21-27-50(120)28-22-47)73(129)110-56(68(124)108-54)16-7-37-103-83(94)95)118-75(131)62(43-48-23-29-51(121)30-24-48)114-71(127)55(15-6-36-102-82(92)93)107-67(123)53(89)12-5-35-101-81(90)91/h21-32,53-66,120-122H,1-20,33-46,87-89H2,(H,107,123)(H,108,124)(H,109,125)(H,110,129)(H,111,130)(H,112,126)(H,113,132)(H,114,127)(H,115,133)(H,116,134)(H,117,128)(H,118,131)(H,136,137)(H4,90,91,101)(H4,92,93,102)(H4,94,95,103)(H4,96,97,104)(H4,98,99,105)(H3,100,106,138)/t53-,54-,55-,56-,57-,58-,59+,60-,61-,62-,63-,64-,65-,66-/m0/s1

InChIKey

DORLSNNOTRZSPK-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-(4-hydroxyphenyl)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 16204785