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CHEBI:215708 - Pseudoxylaramide A

ChEBI IDCHEBI:215708
ChEBI NamePseudoxylaramide A
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SubmitterMetaboLights
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FormulaC35H50N4O6
Net Charge0
Average Mass622.807
Monoisotopic Mass622.37304
SMILESCC[C@H](C)[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)OC)[C@@H](C)CC
InChIInChI=1S/C35H50N4O6/c1-9-23(3)30(36-25(5)40)33(42)38(6)28(21-26-17-13-11-14-18-26)32(41)37-31(24(4)10-2)34(43)39(7)29(35(44)45-8)22-27-19-15-12-16-20-27/h11-20,23-24,28-31H,9-10,21-22H2,1-8H3,(H,36,40)(H,37,41)/t23-,24-,28-,29-,30-,31-/m0/s1
InChIKeyLRDMBHLLXOBYEQ-WCLCNARLSA-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 A (CHEBI:215708) is a peptide (CHEBI:16670)
IUPAC Name 
methyl (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]-methylamino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]-methylamino]-3-phenylpropanoate