Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 20:45:58 UTC
Update Date2022-08-31 06:19:13 UTC
Metabolite IDMMDBc0002316
Metabolite Identification
Common NameTryptoquialanine A
Descriptiontryptoquialanine belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. Based on a literature review a small amount of articles have been published on tryptoquialanine.
Structure
Synonyms
ValueSource
Tryptoquialanine aMeSH
Molecular FormulaC27H26N4O7
Average Mass518.526
Monoisotopic Mass518.180149193
IUPAC Name(1S)-1-{3-[(4'R,9S,9aS)-1-hydroxy-2,2-dimethyl-3,5'-dioxo-1,2,3,9a-tetrahydrospiro[imidazo[1,2-a]indole-9,2'-oxolane]-4'-yl]-4-oxo-3,4-dihydroquinazolin-2-yl}ethyl acetate
Traditional Name(1S)-1-{3-[(4'R,9S,9aS)-1-hydroxy-2,2-dimethyl-3,5'-dioxo-9aH-spiro[imidazo[1,2-a]indole-9,2'-oxolane]-4'-yl]-4-oxoquinazolin-2-yl}ethyl acetate
CAS Registry NumberNot Available
SMILES
[H][C@@](C)(OC(C)=O)C1=NC2=CC=CC=C2C(=O)N1[C@]1([H])C[C@]2(OC1=O)C1=CC=CC=C1N1C(=O)C(C)(C)N(O)[C@@]21[H]
InChI Identifier
InChI=1S/C27H26N4O7/c1-14(37-15(2)32)21-28-18-11-7-5-9-16(18)22(33)29(21)20-13-27(38-23(20)34)17-10-6-8-12-19(17)30-24(27)31(36)26(3,4)25(30)35/h5-12,14,20,24,36H,13H2,1-4H3/t14-,20+,24-,27-/m0/s1
InChI KeyNWBIHDXUFYUNGB-LROXJONJSA-N