Fyiffvfdqkeedd

Structural Information

Molecular Formula

C₈₉H₁₁₆N₁₆O₂₇

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC5=CC=CC=C5)N

InChI

InChI=1S/C89H116N16O27/c1-5-49(4)75(105-86(128)63(44-54-29-31-55(106)32-30-54)97-76(118)56(91)40-50-20-10-6-11-21-50)88(130)102-62(42-52-24-14-8-15-25-52)81(123)98-64(43-53-26-16-9-17-27-53)85(127)104-74(48(2)3)87(129)101-61(41-51-22-12-7-13-23-51)82(124)100-65(45-71(112)113)83(125)96-58(33-36-68(92)107)78(120)93-57(28-18-19-39-90)77(119)94-59(34-37-69(108)109)79(121)95-60(35-38-70(110)111)80(122)99-66(46-72(114)115)84(126)103-67(89(131)132)47-73(116)117/h6-17,20-27,29-32,48-49,56-67,74-75,106H,5,18-19,28,33-47,90-91H2,1-4H3,(H2,92,107)(H,93,120)(H,94,119)(H,95,121)(H,96,125)(H,97,118)(H,98,123)(H,99,122)(H,100,124)(H,101,129)(H,102,130)(H,103,126)(H,104,127)(H,105,128)(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H,116,117)(H,131,132)/t49-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,74-,75-/m0/s1

InChIKey

ORARAOICKDWUJT-NVXIOXQUSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid

Related CIDs

• CID 16130263