1-methyl-3-[[1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]carbamoyl]aziridine-2-carboxylic acid

Systemtic Name: 1-methyl-3-[[1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: 3-[[1-benzyl-2-(benzylamino)-2-oxo-ethyl]carbamoyl]-1-methyl-aziridine-2-carboxylic acid CAS Name: 1-methyl-3-[oxo-[[1-oxo-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]amino]methyl]-2-aziridinecarboxylic acid IUPAC Name: 3-[[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1-methylaziridine-2-carboxylic acid Traditional Name: 3-[[1-benzyl-2-(benzylamino)-2-keto-ethyl]carbamoyl]-1-methyl-ethylenimine-2-carboxylic acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C1C(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CN1C(C1C(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4/c1-24-17(18(24)21(27)28)20(26)23-16(12-14-8-4-2-5-9-14)19(25)22-13-15-10-6-3-7-11-15/h2-11,16-18H,12-13H2,1H3,(H,22,25)(H,23,26)(H,27,28)