(2S)-2-[(2-chloranyl-4,6-dimethyl-phenyl)carbamoylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[(2-chloranyl-4,6-dimethyl-phenyl)carbamoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[(2-chloro-4,6-dimethyl-phenyl)carbamoylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-chloro-4,6-dimethylanilino)-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[(2-chloro-4,6-dimethylphenyl)carbamoylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-chloro-4,6-dimethyl-phenyl)carbamoylamino]-3-methyl-butyrate Formula: C14H18ClN2O3- MolecularWeight: 297.75732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)NC(C(C)C)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)N[C@@H](C(C)C)C(=O)[O-])C

InChI

InChI=1S/C14H19ClN2O3/c1-7(2)11(13(18)19)16-14(20)17-12-9(4)5-8(3)6-10(12)15/h5-7,11H,1-4H3,(H,18,19)(H2,16,17,20)/p-1/t11-/m0/s1