(2S)-2-[(4-chlorophenyl)methylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[(4-chlorophenyl)methylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[(4-chlorophenyl)methylamino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[(4-chlorophenyl)methylamino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[(4-chlorophenyl)methylamino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[(4-chlorobenzyl)amino]-4-(methylthio)butyric acid Formula: C12H16ClNO2S MolecularWeight: 273.77894

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NCC1=CC=C(C=C1)Cl

Isomeric SMILES

CSCC[C@@H](C(=O)O)NCC1=CC=C(C=C1)Cl

InChI

InChI=1S/C12H16ClNO2S/c1-17-7-6-11(12(15)16)14-8-9-2-4-10(13)5-3-9/h2-5,11,14H,6-8H2,1H3,(H,15,16)/t11-/m0/s1