(2S)-2-[(3-chloranyl-4-methyl-phenyl)carbamoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[(3-chloranyl-4-methyl-phenyl)carbamoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[(3-chloro-4-methyl-phenyl)carbamoylamino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(3-chloro-4-methylanilino)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[(3-chloro-4-methylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[(3-chloro-4-methyl-phenyl)carbamoylamino]-4-(methylthio)butyric acid Formula: C13H17ClN2O3S MolecularWeight: 316.80368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O3S/c1-8-3-4-9(7-10(8)14)15-13(19)16-11(12(17)18)5-6-20-2/h3-4,7,11H,5-6H2,1-2H3,(H,17,18)(H2,15,16,19)/t11-/m0/s1