CHEBI:149846 - Ethyl (2S,3S)-3-[[2-oxo-2-[(2-oxo-2-phenylmethoxyethyl)amino]ethyl]carbamoyl]aziridine-2-carboxylate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Ethyl (2S,3S)-3-[[2-oxo-2-[(2-oxo-2-phenylmethoxyethyl)amino]ethyl]carbamoyl]aziridine-2-carboxylate
ChEBI ID CHEBI:149846
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H21N3O6
Net Charge 0
Average Mass 363.370
Monoisotopic Mass 363.14304
InChI InChI=1S/C17H21N3O6/c1-2-25-17(24)15-14(20-15)16(23)19-8-12(21)18-9-13(22)26-10-11-6-4-3-5-7-11/h3-7,14-15,20H,2,8-10H2,1H3,(H,18,21)(H,19,23)/t14-,15-/m0/s1
InChIKey KRZXMZVPCISRBZ-GJZGRUSLSA-N
SMILES N(C(CNC([C@@H]1[C@H](N1)C(OCC)=O)=O)=O)CC(OCC=2C=CC=CC2)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Ethyl (2S,3S)-3-[[2-oxo-2-[(2-oxo-2-phenylmethoxyethyl)amino]ethyl]carbamoyl]aziridine-2-carboxylate (CHEBI:149846) has role anticoronaviral agent (CHEBI:149553)
Ethyl (2S,3S)-3-[[2-oxo-2-[(2-oxo-2-phenylmethoxyethyl)amino]ethyl]carbamoyl]aziridine-2-carboxylate (CHEBI:149846) is a oligopeptide (CHEBI:25676)
General Comment
2020-05-22 anti-coronaviral activity data of this compound obtained from ChEMBL