ethyl 3-[(2-azanyl-3-phenyl-propanoyl)-(2-pyridin-2-ylethyl)carbamoyl]aziridine-2-carboxylate

Systemtic Name: ethyl 3-[(2-azanyl-3-phenyl-propanoyl)-(2-pyridin-2-ylethyl)carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[(2-amino-3-phenyl-propanoyl)-[2-(2-pyridyl)ethyl]carbamoyl]aziridine-2-carboxylate CAS Name: 3-[[(2-amino-1-oxo-3-phenylpropyl)-[2-(2-pyridinyl)ethyl]amino]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-amino-3-phenylpropanoyl)-(2-pyridin-2-ylethyl)carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[phenylalanyl-[2-(2-pyridyl)ethyl]carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)N(CCC2=CC=CC=N2)C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)N(CCC2=CC=CC=N2)C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C22H26N4O4/c1-2-30-22(29)19-18(25-19)21(28)26(13-11-16-10-6-7-12-24-16)20(27)17(23)14-15-8-4-3-5-9-15/h3-10,12,17-19,25H,2,11,13-14,23H2,1H3