4-azanyl-1-[3-(4-phenylphenyl)propanoyl]-2-(phosphonomethylamino)cyclohexane-1-carboxylic acid

Systemtic Name: 4-azanyl-1-[3-(4-phenylphenyl)propanoyl]-2-(phosphonomethylamino)cyclohexane-1-carboxylic acid Openeye Name: 4-amino-1-[3-(4-phenylphenyl)propanoyl]-2-(phosphonomethylamino)cyclohexanecarboxylic acid CAS Name: 4-amino-1-[1-oxo-3-(4-phenylphenyl)propyl]-2-(phosphonomethylamino)-1-cyclohexanecarboxylic acid IUPAC Name: 4-amino-1-[3-(4-phenylphenyl)propanoyl]-2-(phosphonomethylamino)cyclohexane-1-carboxylic acid Traditional Name: 4-amino-1-[3-(4-phenylphenyl)propanoyl]-2-(phosphonomethylamino)cyclohexanecarboxylic acid Formula: C23H29N2O6P MolecularWeight: 460.459921

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1N)NCP(=O)(O)O)(C(=O)CCC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(C(CC1N)NCP(=O)(O)O)(C(=O)CCC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H29N2O6P/c24-19-12-13-23(22(27)28,20(14-19)25-15-32(29,30)31)21(26)11-8-16-6-9-18(10-7-16)17-4-2-1-3-5-17/h1-7,9-10,19-20,25H,8,11-15,24H2,(H,27,28)(H2,29,30,31)