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

Systemtic Name: 3-[[1-(2-methylpropylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: 3-[[1-benzyl-2-(isobutylamino)-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: 3-[[[1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid IUPAC Name: 3-[[1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: 3-[[1-benzyl-2-(isobutylamino)-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C17H23N3O4 MolecularWeight: 333.38222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C2C(N2)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C2C(N2)C(=O)O

InChI

InChI=1S/C17H23N3O4/c1-10(2)9-18-15(21)12(8-11-6-4-3-5-7-11)19-16(22)13-14(20-13)17(23)24/h3-7,10,12-14,20H,8-9H2,1-2H3,(H,18,21)(H,19,22)(H,23,24)