(2S)-2-methyl-3-oxidanylidene-3-[[(2S)-1-phenyl-3-sulfanyl-propan-2-yl]amino]propanoic acid

Systemtic Name: (2S)-2-methyl-3-oxidanylidene-3-[[(2S)-1-phenyl-3-sulfanyl-propan-2-yl]amino]propanoic acid Openeye Name: (2S)-3-[[(1S)-1-benzyl-2-sulfanyl-ethyl]amino]-2-methyl-3-oxo-propanoic acid CAS Name: (2S)-3-[[(2S)-1-mercapto-3-phenylpropan-2-yl]amino]-2-methyl-3-oxopropanoic acid IUPAC Name: (2S)-2-methyl-3-oxo-3-[[(2S)-1-phenyl-3-sulfanylpropan-2-yl]amino]propanoic acid Traditional Name: (2S)-3-[[(1S)-1-benzyl-2-mercapto-ethyl]amino]-3-keto-2-methyl-propionic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-9(13(16)17)12(15)14-11(8-18)7-10-5-3-2-4-6-10/h2-6,9,11,18H,7-8H2,1H3,(H,14,15)(H,16,17)/t9-,11-/m0/s1