2-[[2-(acetyloxymethyl)-3-ethanoylsulfanyl-propanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-(acetyloxymethyl)-3-ethanoylsulfanyl-propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(acetoxymethyl)-3-acetylsulfanyl-propanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(acetyloxymethyl)-3-(acetylthio)-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(acetyloxymethyl)-3-acetylsulfanylpropanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(acetoxymethyl)-3-(acetylthio)propanoyl]amino]-3-phenyl-propionic acid Formula: C17H21NO6S MolecularWeight: 367.41674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CSC(=O)C)C(=O)NC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)OCC(CSC(=O)C)C(=O)NC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C17H21NO6S/c1-11(19)24-9-14(10-25-12(2)20)16(21)18-15(17(22)23)8-13-6-4-3-5-7-13/h3-7,14-15H,8-10H2,1-2H3,(H,18,21)(H,22,23)