2-[[2-(4-methylpiperazin-1-yl)carbonyloxy-3-phenyl-propanoyl]amino]-3-methylsulfanyl-propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)OC(CC2=CC=CC=C2)C(=O)NC(CSC)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)OC(CC2=CC=CC=C2)C(=O)NC(CSC)C(=O)O

InChI

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