ethyl 3-[(2-azanyl-3-phenyl-propanoyl)-phenethyl-carbamoyl]-1-methyl-aziridine-2-carboxylate

Systemtic Name: ethyl 3-[(2-azanyl-3-phenyl-propanoyl)-phenethyl-carbamoyl]-1-methyl-aziridine-2-carboxylate Openeye Name: ethyl 3-[(2-amino-3-phenyl-propanoyl)-phenethyl-carbamoyl]-1-methyl-aziridine-2-carboxylate CAS Name: 3-[[(2-amino-1-oxo-3-phenylpropyl)-phenethylamino]-oxomethyl]-1-methyl-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-amino-3-phenylpropanoyl)-phenethylcarbamoyl]-1-methylaziridine-2-carboxylate Traditional Name: 1-methyl-3-[phenethyl(phenylalanyl)carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1C)C(=O)N(CCC2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1C(N1C)C(=O)N(CCC2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C24H29N3O4/c1-3-31-24(30)21-20(26(21)2)23(29)27(15-14-17-10-6-4-7-11-17)22(28)19(25)16-18-12-8-5-9-13-18/h4-13,19-21H,3,14-16,25H2,1-2H3