(2S,3S)-2-azanyl-3-methyl-N-(3-methylsulfanylphenyl)pentanamide

Systemtic Name: (2S,3S)-2-azanyl-3-methyl-N-(3-methylsulfanylphenyl)pentanamide Openeye Name: (2S,3S)-2-amino-3-methyl-N-(3-methylsulfanylphenyl)pentanamide CAS Name: (2S,3S)-2-amino-3-methyl-N-[3-(methylthio)phenyl]pentanamide IUPAC Name: (2S,3S)-2-amino-3-methyl-N-(3-methylsulfanylphenyl)pentanamide Traditional Name: (2S,3S)-2-amino-3-methyl-N-[3-(methylthio)phenyl]valeramide Formula: C13H20N2OS MolecularWeight: 252.3757

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC(=CC=C1)SC)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=CC(=CC=C1)SC)N

InChI

InChI=1S/C13H20N2OS/c1-4-9(2)12(14)13(16)15-10-6-5-7-11(8-10)17-3/h5-9,12H,4,14H2,1-3H3,(H,15,16)/t9-,12-/m0/s1