ethyl 3-[2-[(2-azanyl-3-phenyl-propanoyl)-methyl-amino]-3-pyridin-2-yl-propanoyl]aziridine-2-carboxylate

Systemtic Name: ethyl 3-[2-[(2-azanyl-3-phenyl-propanoyl)-methyl-amino]-3-pyridin-2-yl-propanoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[2-[(2-amino-3-phenyl-propanoyl)-methyl-amino]-3-(2-pyridyl)propanoyl]aziridine-2-carboxylate CAS Name: 3-[2-[(2-amino-1-oxo-3-phenylpropyl)-methylamino]-1-oxo-3-(2-pyridinyl)propyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-[(2-amino-3-phenylpropanoyl)-methylamino]-3-pyridin-2-ylpropanoyl]aziridine-2-carboxylate Traditional Name: 3-[2-[methyl(phenylalanyl)amino]-3-(2-pyridyl)propanoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)C(CC2=CC=CC=N2)N(C)C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)C(CC2=CC=CC=N2)N(C)C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C23H28N4O4/c1-3-31-23(30)20-19(26-20)21(28)18(14-16-11-7-8-12-25-16)27(2)22(29)17(24)13-15-9-5-4-6-10-15/h4-12,17-20,26H,3,13-14,24H2,1-2H3