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

Systemtic Name: 6-azanyl-2-[[cyclohexyl-(3-phenylpropanoylamino)methyl]-oxidanyl-phosphoryl]oxy-hexanoic acid Openeye Name: 6-amino-2-[[cyclohexyl-(3-phenylpropanoylamino)methyl]-hydroxy-phosphoryl]oxy-hexanoic acid CAS Name: 6-amino-2-[[cyclohexyl-[(1-oxo-3-phenylpropyl)amino]methyl]-hydroxyphosphoryl]oxyhexanoic acid IUPAC Name: 6-amino-2-[[cyclohexyl-(3-phenylpropanoylamino)methyl]-hydroxyphosphoryl]oxyhexanoic acid Traditional Name: 6-amino-2-[[cyclohexyl-(hydrocinnamoylamino)methyl]-hydroxy-phosphoryl]oxy-hexanoic acid Formula: C22H35N2O6P MolecularWeight: 454.496861

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(NC(=O)CCC2=CC=CC=C2)P(=O)(O)OC(CCCCN)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(NC(=O)CCC2=CC=CC=C2)P(=O)(O)OC(CCCCN)C(=O)O

InChI

InChI=1S/C22H35N2O6P/c23-16-8-7-13-19(22(26)27)30-31(28,29)21(18-11-5-2-6-12-18)24-20(25)15-14-17-9-3-1-4-10-17/h1,3-4,9-10,18-19,21H,2,5-8,11-16,23H2,(H,24,25)(H,26,27)(H,28,29)