ethyl 3-[(2-azanyl-3-phenyl-propanoyl)-(2,2-diphenylethyl)carbamoyl]aziridine-2-carboxylate

Systemtic Name: ethyl 3-[(2-azanyl-3-phenyl-propanoyl)-(2,2-diphenylethyl)carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[(2-amino-3-phenyl-propanoyl)-(2,2-diphenylethyl)carbamoyl]aziridine-2-carboxylate CAS Name: 3-[[(2-amino-1-oxo-3-phenylpropyl)-(2,2-diphenylethyl)amino]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-amino-3-phenylpropanoyl)-(2,2-diphenylethyl)carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[2,2-diphenylethyl(phenylalanyl)carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)N(CC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)N(CC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(CC4=CC=CC=C4)N

InChI

InChI=1S/C29H31N3O4/c1-2-36-29(35)26-25(31-26)28(34)32(27(33)24(30)18-20-12-6-3-7-13-20)19-23(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23-26,31H,2,18-19,30H2,1H3