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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC2=CC=CC=C2)NC(=O)C3C(N3CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCC2=CC=CC=C2)NC(=O)C3C(N3CC4=CC=CC=C4)C(=O)O

InChI

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