(2S)-2-[(2,6-dimethylphenyl)carbamoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[(2,6-dimethylphenyl)carbamoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[(2,6-dimethylphenyl)carbamoylamino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(2,6-dimethylanilino)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[(2,6-dimethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[(2,6-dimethylphenyl)carbamoylamino]-4-(methylthio)butyric acid Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-9-5-4-6-10(2)12(9)16-14(19)15-11(13(17)18)7-8-20-3/h4-6,11H,7-8H2,1-3H3,(H,17,18)(H2,15,16,19)/t11-/m0/s1