(phenylmethyl) 3-[[1-oxidanylidene-1-(phenethylamino)-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylate

Systemtic Name: (phenylmethyl) 3-[[1-oxidanylidene-1-(phenethylamino)-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylate Openeye Name: benzyl 3-[[1-benzyl-2-oxo-2-(phenethylamino)ethyl]carbamoyl]aziridine-2-carboxylate CAS Name: 3-[oxo-[[1-oxo-1-(phenethylamino)-3-phenylpropan-2-yl]amino]methyl]-2-aziridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[1-oxo-1-(phenethylamino)-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[[1-benzyl-2-keto-2-(phenethylamino)ethyl]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)CCNC(=O)C(CC2=CC=CC=C2)NC(=O)C3C(N3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C(CC2=CC=CC=C2)NC(=O)C3C(N3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O4/c32-26(29-17-16-20-10-4-1-5-11-20)23(18-21-12-6-2-7-13-21)30-27(33)24-25(31-24)28(34)35-19-22-14-8-3-9-15-22/h1-15,23-25,31H,16-19H2,(H,29,32)(H,30,33)