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

Systemtic Name: ethyl 3-[(2-azanyl-3-phenyl-propanoyl)-(4-phenylbutyl)carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[(2-amino-3-phenyl-propanoyl)-(4-phenylbutyl)carbamoyl]aziridine-2-carboxylate CAS Name: 3-[[(2-amino-1-oxo-3-phenylpropyl)-(4-phenylbutyl)amino]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-amino-3-phenylpropanoyl)-(4-phenylbutyl)carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[phenylalanyl(4-phenylbutyl)carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)N(CCCCC2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)N(CCCCC2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C25H31N3O4/c1-2-32-25(31)22-21(27-22)24(30)28(16-10-9-13-18-11-5-3-6-12-18)23(29)20(26)17-19-14-7-4-8-15-19/h3-8,11-12,14-15,20-22,27H,2,9-10,13,16-17,26H2,1H3