2-(4-methylpiperazin-1-yl)carbonyloxy-3-methylsulfanyl-2-(3-phenylpropanoylamino)propanoic acid

Systemtic Name: 2-(4-methylpiperazin-1-yl)carbonyloxy-3-methylsulfanyl-2-(3-phenylpropanoylamino)propanoic acid Openeye Name: 2-(4-methylpiperazine-1-carbonyl)oxy-3-methylsulfanyl-2-(3-phenylpropanoylamino)propanoic acid CAS Name: 2-[(4-methyl-1-piperazinyl)-oxomethoxy]-3-(methylthio)-2-[(1-oxo-3-phenylpropyl)amino]propanoic acid IUPAC Name: 2-(4-methylpiperazine-1-carbonyl)oxy-3-methylsulfanyl-2-(3-phenylpropanoylamino)propanoic acid Traditional Name: 2-(hydrocinnamoylamino)-2-(4-methylpiperazine-1-carbonyl)oxy-3-(methylthio)propionic acid Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)OC(CSC)(C(=O)O)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CN1CCN(CC1)C(=O)OC(CSC)(C(=O)O)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C19H27N3O5S/c1-21-10-12-22(13-11-21)18(26)27-19(14-28-2,17(24)25)20-16(23)9-8-15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3,(H,20,23)(H,24,25)