Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 00:35:46 UTC
Update Date2022-08-31 06:27:02 UTC
Metabolite IDMMDBc0007398
Metabolite Identification
Common NameMiyakamide B1
DescriptionMiyakamide B1 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 B1.
Structure
SynonymsNot Available
Molecular FormulaC31H32N4O4
Average Mass524.621
Monoisotopic Mass524.242355526
IUPAC Name(2S)-2-[(2S)-2-[(1-hydroxyethylidene)amino]-3-(4-hydroxyphenyl)-N-methylpropanamido]-N-[(Z)-2-(1H-indol-3-yl)ethenyl]-3-phenylpropanimidic acid
Traditional Name(2S)-2-[(2S)-2-[(1-hydroxyethylidene)amino]-3-(4-hydroxyphenyl)-N-methylpropanamido]-N-[(Z)-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=C(O)C=C1)N=C(C)O)=C(/[H])C1=CNC2=CC=CC=C12
InChI Identifier
InChI=1S/C31H32N4O4/c1-21(36)34-28(18-23-12-14-25(37)15-13-23)31(39)35(2)29(19-22-8-4-3-5-9-22)30(38)32-17-16-24-20-33-27-11-7-6-10-26(24)27/h3-17,20,28-29,33,37H,18-19H2,1-2H3,(H,32,38)(H,34,36)/b17-16-/t28-,29-/m0/s1
InChI KeyFDKBLSNCAOHWNC-ANVHOORDSA-N