6-azanyl-2-[[oxan-4-yl-(3-phenylpropanoylamino)methyl]-oxidanyl-phosphoryl]oxy-hexanoic acid

Systemtic Name: 6-azanyl-2-[[oxan-4-yl-(3-phenylpropanoylamino)methyl]-oxidanyl-phosphoryl]oxy-hexanoic acid Openeye Name: 6-amino-2-[hydroxy-[(3-phenylpropanoylamino)-tetrahydropyran-4-yl-methyl]phosphoryl]oxy-hexanoic acid CAS Name: 6-amino-2-[hydroxy-[4-oxanyl-[(1-oxo-3-phenylpropyl)amino]methyl]phosphoryl]oxyhexanoic acid IUPAC Name: 6-amino-2-[hydroxy-[oxan-4-yl-(3-phenylpropanoylamino)methyl]phosphoryl]oxyhexanoic acid Traditional Name: 6-amino-2-[[(hydrocinnamoylamino)-tetrahydropyran-4-yl-methyl]-hydroxy-phosphoryl]oxy-hexanoic acid Formula: C21H33N2O7P MolecularWeight: 456.469681

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C(NC(=O)CCC2=CC=CC=C2)P(=O)(O)OC(CCCCN)C(=O)O

Isomeric SMILES

C1COCCC1C(NC(=O)CCC2=CC=CC=C2)P(=O)(O)OC(CCCCN)C(=O)O

InChI

InChI=1S/C21H33N2O7P/c22-13-5-4-8-18(21(25)26)30-31(27,28)20(17-11-14-29-15-12-17)23-19(24)10-9-16-6-2-1-3-7-16/h1-3,6-7,17-18,20H,4-5,8-15,22H2,(H,23,24)(H,25,26)(H,27,28)