Fyifevffqkeedd

Structural Information

Molecular Formula

C₉₀H₁₁₈N₁₆O₂₇

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)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/C90H118N16O27/c1-5-50(4)76(106-87(129)66(46-55-29-31-56(107)32-30-55)99-77(119)57(92)42-51-20-10-6-11-21-51)89(131)103-64(44-53-24-14-8-15-25-53)84(126)98-62(36-40-72(113)114)82(124)105-75(49(2)3)88(130)102-65(45-54-26-16-9-17-27-54)85(127)100-63(43-52-22-12-7-13-23-52)83(125)97-59(33-37-69(93)108)79(121)94-58(28-18-19-41-91)78(120)95-60(34-38-70(109)110)80(122)96-61(35-39-71(111)112)81(123)101-67(47-73(115)116)86(128)104-68(90(132)133)48-74(117)118/h6-17,20-27,29-32,49-50,57-68,75-76,107H,5,18-19,28,33-48,91-92H2,1-4H3,(H2,93,108)(H,94,121)(H,95,120)(H,96,122)(H,97,125)(H,98,126)(H,99,119)(H,100,127)(H,101,123)(H,102,130)(H,103,131)(H,104,128)(H,105,124)(H,106,129)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,132,133)/t50-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,75-,76-/m0/s1

InChIKey

TUPOQFZNNNCJMR-MERKFUMUSA-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]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid

Related CIDs

• CID 16130255