(2S)-2-[(2,6-diethylphenyl)carbamoylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[(2,6-diethylphenyl)carbamoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[(2,6-diethylphenyl)carbamoylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2,6-diethylanilino)-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[(2,6-diethylphenyl)carbamoylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(2,6-diethylphenyl)carbamoylamino]-3-methyl-butyrate Formula: C16H23N2O3- MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)NC(C(C)C)C(=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)N[C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C16H24N2O3/c1-5-11-8-7-9-12(6-2)14(11)18-16(21)17-13(10(3)4)15(19)20/h7-10,13H,5-6H2,1-4H3,(H,19,20)(H2,17,18,21)/p-1/t13-/m0/s1