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CHEBI:215728 - Pseudoxylaramide D

ChEBI IDCHEBI:215728
ChEBI NamePseudoxylaramide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H46N4O6
Net Charge0
Average Mass642.797
Monoisotopic Mass642.34174
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)O
InChIInChI=1S/C37H46N4O6/c1-6-25(2)33(38-26(3)42)36(45)40(4)31(23-28-18-12-8-13-19-28)34(43)39-30(22-27-16-10-7-11-17-27)35(44)41(5)32(37(46)47)24-29-20-14-9-15-21-29/h7-21,25,30-33H,6,22-24H2,1-5H3,(H,38,42)(H,39,43)(H,46,47)/t25-,30-,31-,32-,33-/m0/s1
InChIKeySCEKCLFTKMLCKA-FBUQYSLZSA-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 D (CHEBI:215728) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]-methylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoic acid