(2S)-2-[(5-chloranyl-2-methyl-phenyl)carbamoylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[(5-chloranyl-2-methyl-phenyl)carbamoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[(5-chloro-2-methyl-phenyl)carbamoylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[(5-chloro-2-methylanilino)-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(5-chloro-2-methyl-phenyl)carbamoylamino]-3-methyl-butyrate Formula: C13H16ClN2O3- MolecularWeight: 283.73074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O3/c1-7(2)11(12(17)18)16-13(19)15-10-6-9(14)5-4-8(10)3/h4-7,11H,1-3H3,(H,17,18)(H2,15,16,19)/p-1/t11-/m0/s1