ethyl 3-[(2-azanyl-3-phenyl-propanoyl)-[2-(4-chlorophenyl)ethyl]carbamoyl]aziridine-2-carboxylate

Systemtic Name: ethyl 3-[(2-azanyl-3-phenyl-propanoyl)-[2-(4-chlorophenyl)ethyl]carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[(2-amino-3-phenyl-propanoyl)-[2-(4-chlorophenyl)ethyl]carbamoyl]aziridine-2-carboxylate CAS Name: 3-[[(2-amino-1-oxo-3-phenylpropyl)-[2-(4-chlorophenyl)ethyl]amino]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-amino-3-phenylpropanoyl)-[2-(4-chlorophenyl)ethyl]carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[2-(4-chlorophenyl)ethyl-phenylalanyl-carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C23H26ClN3O4 MolecularWeight: 443.92324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)N(CCC2=CC=C(C=C2)Cl)C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)N(CCC2=CC=C(C=C2)Cl)C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C23H26ClN3O4/c1-2-31-23(30)20-19(26-20)22(29)27(13-12-15-8-10-17(24)11-9-15)21(28)18(25)14-16-6-4-3-5-7-16/h3-11,18-20,26H,2,12-14,25H2,1H3