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

Systemtic Name: 6-azanyl-2-[[(4-methylcyclohexyl)-(3-phenylpropanoylamino)methyl]-oxidanyl-phosphoryl]oxy-hexanoic acid Openeye Name: 6-amino-2-[hydroxy-[(4-methylcyclohexyl)-(3-phenylpropanoylamino)methyl]phosphoryl]oxy-hexanoic acid CAS Name: 6-amino-2-[hydroxy-[(4-methylcyclohexyl)-[(1-oxo-3-phenylpropyl)amino]methyl]phosphoryl]oxyhexanoic acid IUPAC Name: 6-amino-2-[hydroxy-[(4-methylcyclohexyl)-(3-phenylpropanoylamino)methyl]phosphoryl]oxyhexanoic acid Traditional Name: 6-amino-2-[[(hydrocinnamoylamino)-(4-methylcyclohexyl)methyl]-hydroxy-phosphoryl]oxy-hexanoic acid Formula: C23H37N2O6P MolecularWeight: 468.523441

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(NC(=O)CCC2=CC=CC=C2)P(=O)(O)OC(CCCCN)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(NC(=O)CCC2=CC=CC=C2)P(=O)(O)OC(CCCCN)C(=O)O

InChI

InChI=1S/C23H37N2O6P/c1-17-10-13-19(14-11-17)22(25-21(26)15-12-18-7-3-2-4-8-18)32(29,30)31-20(23(27)28)9-5-6-16-24/h2-4,7-8,17,19-20,22H,5-6,9-16,24H2,1H3,(H,25,26)(H,27,28)(H,29,30)