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

Systemtic Name: (phenylmethyl) 3-[(2-azanyl-3-phenyl-propanoyl)-phenethyl-carbamoyl]aziridine-2-carboxylate Openeye Name: benzyl 3-[(2-amino-3-phenyl-propanoyl)-phenethyl-carbamoyl]aziridine-2-carboxylate CAS Name: 3-[[(2-amino-1-oxo-3-phenylpropyl)-phenethylamino]-oxomethyl]-2-aziridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(2-amino-3-phenylpropanoyl)-phenethylcarbamoyl]aziridine-2-carboxylate Traditional Name: 3-[phenethyl(phenylalanyl)carbamoyl]ethylenimine-2-carboxylic acid benzyl ester Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(C(=O)C2C(N2)C(=O)OCC3=CC=CC=C3)C(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)CCN(C(=O)C2C(N2)C(=O)OCC3=CC=CC=C3)C(=O)C(CC4=CC=CC=C4)N

InChI

InChI=1S/C28H29N3O4/c29-23(18-21-12-6-2-7-13-21)26(32)31(17-16-20-10-4-1-5-11-20)27(33)24-25(30-24)28(34)35-19-22-14-8-3-9-15-22/h1-15,23-25,30H,16-19,29H2