(2S)-3-methoxysulfanyl-3-methyl-2-[(phenylmethyl)amino]butanoic acid

Systemtic Name: (2S)-3-methoxysulfanyl-3-methyl-2-[(phenylmethyl)amino]butanoic acid Openeye Name: (2S)-2-(benzylamino)-3-methoxysulfanyl-3-methyl-butanoic acid CAS Name: (2S)-3-(methoxythio)-3-methyl-2-[(phenylmethyl)amino]butanoic acid IUPAC Name: (2S)-2-(benzylamino)-3-methoxysulfanyl-3-methylbutanoic acid Traditional Name: (2S)-2-(benzylamino)-3-(methoxythio)-3-methyl-butyric acid Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NCC1=CC=CC=C1)SOC

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3S/c1-13(2,18-17-3)11(12(15)16)14-9-10-7-5-4-6-8-10/h4-8,11,14H,9H2,1-3H3,(H,15,16)/t11-/m0/s1