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

Systemtic Name: 6-azanyl-2-[[cycloheptyl-(3-phenylpropanoylamino)methyl]-oxidanyl-phosphoryl]oxy-hexanoic acid Openeye Name: 6-amino-2-[[cycloheptyl-(3-phenylpropanoylamino)methyl]-hydroxy-phosphoryl]oxy-hexanoic acid CAS Name: 6-amino-2-[[cycloheptyl-[(1-oxo-3-phenylpropyl)amino]methyl]-hydroxyphosphoryl]oxyhexanoic acid IUPAC Name: 6-amino-2-[[cycloheptyl-(3-phenylpropanoylamino)methyl]-hydroxyphosphoryl]oxyhexanoic acid Traditional Name: 6-amino-2-[[cycloheptyl-(hydrocinnamoylamino)methyl]-hydroxy-phosphoryl]oxy-hexanoic acid Formula: C23H37N2O6P MolecularWeight: 468.523441

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C(NC(=O)CCC2=CC=CC=C2)P(=O)(O)OC(CCCCN)C(=O)O

Isomeric SMILES

C1CCCC(CC1)C(NC(=O)CCC2=CC=CC=C2)P(=O)(O)OC(CCCCN)C(=O)O

InChI

InChI=1S/C23H37N2O6P/c24-17-9-8-14-20(23(27)28)31-32(29,30)22(19-12-6-1-2-7-13-19)25-21(26)16-15-18-10-4-3-5-11-18/h3-5,10-11,19-20,22H,1-2,6-9,12-17,24H2,(H,25,26)(H,27,28)(H,29,30)