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

Systemtic Name: 2-[[2-(acetyloxymethyl)-3-ethanoylsulfanyl-propanoyl]-methyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(acetoxymethyl)-3-acetylsulfanyl-propanoyl]-methyl-amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(acetyloxymethyl)-3-(acetylthio)-1-oxopropyl]-methylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(acetyloxymethyl)-3-acetylsulfanylpropanoyl]-methylamino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(acetoxymethyl)-3-(acetylthio)propanoyl]-methyl-amino]-3-phenyl-propionic acid Formula: C18H23NO6S MolecularWeight: 381.44332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO6S/c1-12(20)25-10-15(11-26-13(2)21)17(22)19(3)16(18(23)24)9-14-7-5-4-6-8-14/h4-8,15-16H,9-11H2,1-3H3,(H,23,24)