2-[[2-(hydroxymethyl)-3-sulfanyl-propanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-(hydroxymethyl)-3-sulfanyl-propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(hydroxymethyl)-3-sulfanyl-propanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(hydroxymethyl)-3-mercapto-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(hydroxymethyl)-3-sulfanylpropanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[3-hydroxy-2-(mercaptomethyl)propanoyl]amino]-3-phenyl-propionic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c15-7-10(8-19)12(16)14-11(13(17)18)6-9-4-2-1-3-5-9/h1-5,10-11,15,19H,6-8H2,(H,14,16)(H,17,18)