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

Systemtic Name: 2-[[2-(hydroxymethyl)-3-sulfanyl-propanoyl]-methyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(hydroxymethyl)-3-sulfanyl-propanoyl]-methyl-amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(hydroxymethyl)-3-mercapto-1-oxopropyl]-methylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(hydroxymethyl)-3-sulfanylpropanoyl]-methylamino]-3-phenylpropanoic acid Traditional Name: 2-[[3-hydroxy-2-(mercaptomethyl)propanoyl]-methyl-amino]-3-phenyl-propionic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C(=O)O)C(=O)C(CO)CS

Isomeric SMILES

CN(C(CC1=CC=CC=C1)C(=O)O)C(=O)C(CO)CS

InChI

InChI=1S/C14H19NO4S/c1-15(13(17)11(8-16)9-20)12(14(18)19)7-10-5-3-2-4-6-10/h2-6,11-12,16,20H,7-9H2,1H3,(H,18,19)