(2S)-3-(4-hydroxyphenyl)-2-[(2-methyl-3-sulfanyl-propanoyl)amino]propanoic acid

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-[(2-methyl-3-sulfanyl-propanoyl)amino]propanoic acid Openeye Name: (2S)-3-(4-hydroxyphenyl)-2-[(2-methyl-3-sulfanyl-propanoyl)amino]propanoic acid CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[(3-mercapto-2-methyl-1-oxopropyl)amino]propanoic acid IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-[(2-methyl-3-sulfanylpropanoyl)amino]propanoic acid Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[(3-mercapto-2-methyl-propanoyl)amino]propionic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c1-8(7-19)12(16)14-11(13(17)18)6-9-2-4-10(15)5-3-9/h2-5,8,11,15,19H,6-7H2,1H3,(H,14,16)(H,17,18)/t8?,11-/m0/s1