Fyicfvffqkeedd

Structural Information

Molecular Formula

C₈₈H₁₁₆N₁₆O₂₅S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CC=CC=C1)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/C88H116N16O25S/c1-5-49(4)74(104-84(124)63(44-54-29-31-55(105)32-30-54)96-75(115)56(90)40-50-20-10-6-11-21-50)87(127)102-67(47-130)85(125)98-64(43-53-26-16-9-17-27-53)83(123)103-73(48(2)3)86(126)100-62(42-52-24-14-8-15-25-52)81(121)97-61(41-51-22-12-7-13-23-51)80(120)95-58(33-36-68(91)106)77(117)92-57(28-18-19-39-89)76(116)93-59(34-37-69(107)108)78(118)94-60(35-38-70(109)110)79(119)99-65(45-71(111)112)82(122)101-66(88(128)129)46-72(113)114/h6-17,20-27,29-32,48-49,56-67,73-74,105,130H,5,18-19,28,33-47,89-90H2,1-4H3,(H2,91,106)(H,92,117)(H,93,116)(H,94,118)(H,95,120)(H,96,115)(H,97,121)(H,98,125)(H,99,119)(H,100,126)(H,101,122)(H,102,127)(H,103,123)(H,104,124)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,128,129)/t49-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-/m0/s1

InChIKey

AREBZRIVJSZVHE-IONSHXRNSA-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-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]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 16130261