2-[[2-methyl-1-(3-phenylpropanoylamino)propyl]-oxidanyl-phosphoryl]oxy-4-piperidin-4-yl-butanoic acid

Systemtic Name: 2-[[2-methyl-1-(3-phenylpropanoylamino)propyl]-oxidanyl-phosphoryl]oxy-4-piperidin-4-yl-butanoic acid Openeye Name: 2-[hydroxy-[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]oxy-4-(4-piperidyl)butanoic acid CAS Name: 2-[hydroxy-[2-methyl-1-[(1-oxo-3-phenylpropyl)amino]propyl]phosphoryl]oxy-4-(4-piperidinyl)butanoic acid IUPAC Name: 2-[hydroxy-[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]oxy-4-piperidin-4-ylbutanoic acid Traditional Name: 2-[[1-(hydrocinnamoylamino)-2-methyl-propyl]-hydroxy-phosphoryl]oxy-4-(4-piperidyl)butyric acid Formula: C22H35N2O6P MolecularWeight: 454.496861

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NC(=O)CCC1=CC=CC=C1)P(=O)(O)OC(CCC2CCNCC2)C(=O)O

Isomeric SMILES

CC(C)C(NC(=O)CCC1=CC=CC=C1)P(=O)(O)OC(CCC2CCNCC2)C(=O)O

InChI

InChI=1S/C22H35N2O6P/c1-16(2)21(24-20(25)11-9-17-6-4-3-5-7-17)31(28,29)30-19(22(26)27)10-8-18-12-14-23-15-13-18/h3-7,16,18-19,21,23H,8-15H2,1-2H3,(H,24,25)(H,26,27)(H,28,29)