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CHEBI:215714 - Pseudoxylaramide B

ChEBI IDCHEBI:215714
ChEBI NamePseudoxylaramide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H48N4O6
Net Charge0
Average Mass608.780
Monoisotopic Mass608.35739
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C34H48N4O6/c1-8-22(3)29(35-24(5)39)32(41)37(6)27(20-25-16-12-10-13-17-25)31(40)36-30(23(4)9-2)33(42)38(7)28(34(43)44)21-26-18-14-11-15-19-26/h10-19,22-23,27-30H,8-9,20-21H2,1-7H3,(H,35,39)(H,36,40)(H,43,44)/t22-,23-,27-,28-,29-,30-/m0/s1
InChIKeyOFOXVNWTUKUNBI-XUFANPGPSA-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 B (CHEBI:215714) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]-methylamino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]-methylamino]-3-phenylpropanoic acid