(2-azanyl-2-oxidanylidene-ethyl) (2S)-2-[(2,4-dichlorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) (2S)-2-[(2,4-dichlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (2-amino-2-oxo-ethyl) (2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) (2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methyl-butyric acid (2-amino-2-keto-ethyl) ester Formula: C14H16Cl2N2O4 MolecularWeight: 347.19384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N)NC(=O)C1=C(C=C(C=C1)Cl)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)N)NC(=O)C1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C14H16Cl2N2O4/c1-7(2)12(14(21)22-6-11(17)19)18-13(20)9-4-3-8(15)5-10(9)16/h3-5,7,12H,6H2,1-2H3,(H2,17,19)(H,18,20)/t12-/m0/s1