2-isoquinolin-1-yl-3-[[2-methyl-1-(phenylmethoxycarbonylamino)propyl]-oxidanyl-phosphoryl]propanoic acid

Systemtic Name: 2-isoquinolin-1-yl-3-[[2-methyl-1-(phenylmethoxycarbonylamino)propyl]-oxidanyl-phosphoryl]propanoic acid Openeye Name: 3-[[1-(benzyloxycarbonylamino)-2-methyl-propyl]-hydroxy-phosphoryl]-2-(1-isoquinolyl)propanoic acid CAS Name: 3-[hydroxy-[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphoryl]-2-(1-isoquinolinyl)propanoic acid IUPAC Name: 3-[hydroxy-[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphoryl]-2-isoquinolin-1-ylpropanoic acid Traditional Name: 3-[[1-(benzyloxycarbonylamino)-2-methyl-propyl]-hydroxy-phosphoryl]-2-(1-isoquinolyl)propionic acid Formula: C24H27N2O6P MolecularWeight: 470.454741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NC(=O)OCC1=CC=CC=C1)P(=O)(CC(C2=NC=CC3=CC=CC=C32)C(=O)O)O

Isomeric SMILES

CC(C)C(NC(=O)OCC1=CC=CC=C1)P(=O)(CC(C2=NC=CC3=CC=CC=C32)C(=O)O)O

InChI

InChI=1S/C24H27N2O6P/c1-16(2)22(26-24(29)32-14-17-8-4-3-5-9-17)33(30,31)15-20(23(27)28)21-19-11-7-6-10-18(19)12-13-25-21/h3-13,16,20,22H,14-15H2,1-2H3,(H,26,29)(H,27,28)(H,30,31)