3-[[1-(2,2-diphenylethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid

Systemtic Name: 3-[[1-(2,2-diphenylethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: 3-[[1-benzyl-2-(2,2-diphenylethylamino)-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: 3-[[[1-(2,2-diphenylethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid IUPAC Name: 3-[[1-(2,2-diphenylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: 3-[[1-benzyl-2-(2,2-diphenylethylamino)-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4C(N4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCC(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4C(N4)C(=O)O

InChI

InChI=1S/C27H27N3O4/c31-25(28-17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20)22(16-18-10-4-1-5-11-18)29-26(32)23-24(30-23)27(33)34/h1-15,21-24,30H,16-17H2,(H,28,31)(H,29,32)(H,33,34)