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CHEBI:215720 - Pseudoxylaramide C

ChEBI IDCHEBI:215720
ChEBI NamePseudoxylaramide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC38H48N4O6
Net Charge0
Average Mass656.824
Monoisotopic Mass656.35739
SMILESCC[C@H](C)[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)OC
InChIInChI=1S/C38H48N4O6/c1-7-26(2)34(39-27(3)43)37(46)41(4)32(24-29-19-13-9-14-20-29)35(44)40-31(23-28-17-11-8-12-18-28)36(45)42(5)33(38(47)48-6)25-30-21-15-10-16-22-30/h8-22,26,31-34H,7,23-25H2,1-6H3,(H,39,43)(H,40,44)/t26-,31-,32-,33-,34-/m0/s1
InChIKeyUOMZPLCAPSDOBP-NQBDWGITSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pseudoxylaramide C (CHEBI:215720) is a peptide (CHEBI:16670)
IUPAC Name 
methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]-methylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoate