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

Systemtic Name: 2-[[2-(hydroxymethyl)-3-sulfanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[2-(hydroxymethyl)-3-sulfanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[2-(hydroxymethyl)-3-mercapto-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[2-(hydroxymethyl)-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[3-hydroxy-2-(mercaptomethyl)propanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=O)C(CO)CS)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC(=O)C(CO)CS)O

InChI

InChI=1S/C13H17NO5S/c15-6-9(7-20)12(17)14-11(13(18)19)5-8-1-3-10(16)4-2-8/h1-4,9,11,15-16,20H,5-7H2,(H,14,17)(H,18,19)