CHEBI:215714 - Pseudoxylaramide B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Pseudoxylaramide B
ChEBI ID CHEBI:215714
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
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Formula C34H48N4O6
Net Charge 0
Average Mass 608.780
Monoisotopic Mass 608.35739
InChI InChI=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
InChIKey OFOXVNWTUKUNBI-XUFANPGPSA-N
SMILES O=C(O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C)[C@H](CC)C)C)CC1=CC=CC=C1)[C@H](CC)C)C)CC2=CC=CC=C2
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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