(1-oxidanylidene-1-phenylazanyl-propan-2-yl) (2S)-2-[(2,4-dichlorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-propan-2-yl) (2S)-2-[(2,4-dichlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (2-anilino-1-methyl-2-oxo-ethyl) (2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (1-anilino-1-oxopropan-2-yl) ester IUPAC Name: (1-anilino-1-oxopropan-2-yl) (2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methyl-butyric acid (2-anilino-2-keto-1-methyl-ethyl) ester Formula: C21H22Cl2N2O4 MolecularWeight: 437.31638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NC1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OC(C)C(=O)NC1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C21H22Cl2N2O4/c1-12(2)18(25-20(27)16-10-9-14(22)11-17(16)23)21(28)29-13(3)19(26)24-15-7-5-4-6-8-15/h4-13,18H,1-3H3,(H,24,26)(H,25,27)/t13?,18-/m0/s1