Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:15:38 UTC
Update Date2022-08-31 06:43:18 UTC
Metabolite IDMMDBc0017976
Metabolite Identification
Common NameMiyakamide A2
DescriptionMiyakamide A2 belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Based on a literature review very few articles have been published on Miyakamide A2.
Structure
SynonymsNot Available
Molecular FormulaC31H32N4O3
Average Mass508.622
Monoisotopic Mass508.247440906
IUPAC Name(2S)-2-[(2S)-2-[(1-hydroxyethylidene)amino]-N-methyl-3-phenylpropanamido]-N-[(E)-2-(1H-indol-3-yl)ethenyl]-3-phenylpropanimidic acid
Traditional Name(2S)-2-[(2S)-2-[(1-hydroxyethylidene)amino]-N-methyl-3-phenylpropanamido]-N-[(E)-2-(1H-indol-3-yl)ethenyl]-3-phenylpropanimidic acid
CAS Registry NumberNot Available
SMILES
[H]\C(N=C(O)[C@]([H])(CC1=CC=CC=C1)N(C)C(=O)[C@]([H])(CC1=CC=CC=C1)N=C(C)O)=C(\[H])C1=CNC2=CC=CC=C12
InChI Identifier
InChI=1S/C31H32N4O3/c1-22(36)34-28(19-23-11-5-3-6-12-23)31(38)35(2)29(20-24-13-7-4-8-14-24)30(37)32-18-17-25-21-33-27-16-10-9-15-26(25)27/h3-18,21,28-29,33H,19-20H2,1-2H3,(H,32,37)(H,34,36)/b18-17+/t28-,29-/m0/s1
InChI KeyNNICSBNBJLZHOU-LBBURDNXSA-N