Arg-arg-nal-cys-tyr-arg-lys-dlys-pro-tyr-glu-cit-cys-arg

Structural Information

Molecular Formula

C₈₉H₁₃₆N₃₀O₂₀S₂

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=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)O)CCCNC(=O)N)CCC(=O)O)CC6=CC=C(C=C6)O

InChI

InChI=1S/C89H136N30O20S2/c90-35-5-3-16-57-73(126)112-62(17-4-6-36-91)83(136)119-42-12-22-69(119)82(135)116-65(45-50-26-31-55(121)32-27-50)78(131)111-61(33-34-70(122)123)76(129)109-60(20-10-41-106-89(101)139)75(128)117-67(80(133)113-63(84(137)138)21-11-40-105-88(99)100)47-140-141-48-68(81(134)115-64(44-49-24-29-54(120)30-25-49)77(130)110-59(72(125)108-57)19-9-39-104-87(97)98)118-79(132)66(46-51-23-28-52-13-1-2-14-53(52)43-51)114-74(127)58(18-8-38-103-86(95)96)107-71(124)56(92)15-7-37-102-85(93)94/h1-2,13-14,23-32,43,56-69,120-121H,3-12,15-22,33-42,44-48,90-92H2,(H,107,124)(H,108,125)(H,109,129)(H,110,130)(H,111,131)(H,112,126)(H,113,133)(H,114,127)(H,115,134)(H,116,135)(H,117,128)(H,118,132)(H,122,123)(H,137,138)(H4,93,94,102)(H4,95,96,103)(H4,97,98,104)(H4,99,100,105)(H3,101,106,139)/t56-,57-,58-,59-,60-,61-,62+,63-,64-,65-,66-,67-,68-,69-/m0/s1

InChIKey

IMUWMJDPXRRZKD-UXNLHULBSA-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-naphthalen-2-ylpropanoyl]amino]-9-(3-carbamimidamidopropyl)-23-[3-(carbamoylamino)propyl]-26-(2-carboxyethyl)-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 16131708