2-[[[1-(9H-fluoren-9-ylmethoxycarbonyl)azepan-2-yl]-oxidanyl-phosphoryl]methyl]-3-phenyl-propanoic acid

Systemtic Name: 2-[[[1-(9H-fluoren-9-ylmethoxycarbonyl)azepan-2-yl]-oxidanyl-phosphoryl]methyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-[[1-(9H-fluoren-9-ylmethoxycarbonyl)azepan-2-yl]-hydroxy-phosphoryl]propanoic acid CAS Name: 2-[[[1-[9H-fluoren-9-ylmethoxy(oxo)methyl]-2-azepanyl]-hydroxyphosphoryl]methyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-[[1-(9H-fluoren-9-ylmethoxycarbonyl)azepan-2-yl]-hydroxyphosphoryl]propanoic acid Traditional Name: 2-benzyl-3-[[1-(9H-fluoren-9-ylmethoxycarbonyl)azepan-2-yl]-hydroxy-phosphoryl]propionic acid Formula: C31H34NO6P MolecularWeight: 547.578521

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)P(=O)(CC(CC5=CC=CC=C5)C(=O)O)O

Isomeric SMILES

C1CCC(N(CC1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)P(=O)(CC(CC5=CC=CC=C5)C(=O)O)O

InChI

InChI=1S/C31H34NO6P/c33-30(34)23(19-22-11-3-1-4-12-22)21-39(36,37)29-17-5-2-10-18-32(29)31(35)38-20-28-26-15-8-6-13-24(26)25-14-7-9-16-27(25)28/h1,3-4,6-9,11-16,23,28-29H,2,5,10,17-21H2,(H,33,34)(H,36,37)