CHEBI:92376 - (3S)-4-oxo-3-propan-2-yl-3-(3-thiophenyl)diazetidine-1,2-dicarboxylic acid dimethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3S)-4-oxo-3-propan-2-yl-3-(3-thiophenyl)diazetidine-1,2-dicarboxylic acid dimethyl ester
ChEBI ID CHEBI:92376
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C13H16N2O5S
Net Charge 0
Average Mass 312.343
Monoisotopic Mass 312.07799
InChI InChI=1S/C13H16N2O5S/c1-8(2)13(9-5-6-21-7-9)10(16)14(11(17)19-3)15(13)12(18)20-4/h5-8H,1-4H3/t13-/m0/s1
InChIKey JVWBEDOJCYZLKX-ZDUSSCGKSA-N
SMILES CC(C)[C@@]1(C(=O)N(N1C(=O)OC)C(=O)OC)C2=CSC=C2
ChEBI Ontology
Outgoing (3S)-4-oxo-3-propan-2-yl-3-(3-thiophenyl)diazetidine-1,2-dicarboxylic acid dimethyl ester (CHEBI:92376) has functional parent α-amino acid (CHEBI:33704)
(3S)-4-oxo-3-propan-2-yl-3-(3-thiophenyl)diazetidine-1,2-dicarboxylic acid dimethyl ester (CHEBI:92376) is a organonitrogen compound (CHEBI:35352)
(3S)-4-oxo-3-propan-2-yl-3-(3-thiophenyl)diazetidine-1,2-dicarboxylic acid dimethyl ester (CHEBI:92376) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
LSM-2463 LINCS
View more database links