Nh2-arg-phe-arg-cys(x1)-tyr-arg-lys-d-lys-pro-tyr-arg-cit-cys(x1)-arg-oh

Structural Information

Molecular Formula

C₈₆H₁₃₉N₃₃O₁₈S₂

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](CCCNC(=N)N)NC(=O)[C@H](CC4=CC=CC=C4)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/C86H139N33O18S2/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)75(130)110-56(21-10-38-103-83(94)95)69(124)108-57(23-12-41-106-86(100)137)71(126)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)74(129)109-55(68(123)107-54)20-9-37-102-82(92)93)118-72(127)58(22-11-39-104-84(96)97)111-73(128)61(43-48-15-2-1-3-16-48)114-67(122)53(89)17-8-36-101-81(90)91/h1-3,15-16,26-33,53-66,120-121H,4-14,17-25,34-47,87-89H2,(H,107,123)(H,108,124)(H,109,129)(H,110,130)(H,111,128)(H,112,125)(H,113,131)(H,114,122)(H,115,132)(H,116,133)(H,117,126)(H,118,127)(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

HLNNPQZNWAWPDY-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]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]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 16204791
• CID 16204792