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

Systemtic Name: ethyl 3-[(2-azanyl-3-phenyl-propanoyl)-phenethyl-carbamoyl]-1-(phenylmethyl)aziridine-2-carboxylate Openeye Name: ethyl 3-[(2-amino-3-phenyl-propanoyl)-phenethyl-carbamoyl]-1-benzyl-aziridine-2-carboxylate CAS Name: 3-[[(2-amino-1-oxo-3-phenylpropyl)-phenethylamino]-oxomethyl]-1-(phenylmethyl)-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-amino-3-phenylpropanoyl)-phenethylcarbamoyl]-1-benzylaziridine-2-carboxylate Traditional Name: 1-benzyl-3-[phenethyl(phenylalanyl)carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C30H33N3O4 MolecularWeight: 499.60072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1CC2=CC=CC=C2)C(=O)N(CCC3=CC=CC=C3)C(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1C(N1CC2=CC=CC=C2)C(=O)N(CCC3=CC=CC=C3)C(=O)C(CC4=CC=CC=C4)N

InChI

InChI=1S/C30H33N3O4/c1-2-37-30(36)27-26(33(27)21-24-16-10-5-11-17-24)29(35)32(19-18-22-12-6-3-7-13-22)28(34)25(31)20-23-14-8-4-9-15-23/h3-17,25-27H,2,18-21,31H2,1H3