4-[[3-(4-phenylphenyl)-2-(2-phosphonopropan-2-ylamino)propanoyl]amino]benzoic acid

Systemtic Name: 4-[[3-(4-phenylphenyl)-2-(2-phosphonopropan-2-ylamino)propanoyl]amino]benzoic acid Openeye Name: 4-[[2-[(1-methyl-1-phosphono-ethyl)amino]-3-(4-phenylphenyl)propanoyl]amino]benzoic acid CAS Name: 4-[[1-oxo-3-(4-phenylphenyl)-2-(2-phosphonopropan-2-ylamino)propyl]amino]benzoic acid IUPAC Name: 4-[[3-(4-phenylphenyl)-2-(2-phosphonopropan-2-ylamino)propanoyl]amino]benzoic acid Traditional Name: 4-[[2-[(1-methyl-1-phosphono-ethyl)amino]-3-(4-phenylphenyl)propanoyl]amino]benzoic acid Formula: C25H27N2O6P MolecularWeight: 482.465441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(NC(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)P(=O)(O)O

Isomeric SMILES

CC(C)(NC(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)P(=O)(O)O

InChI

InChI=1S/C25H27N2O6P/c1-25(2,34(31,32)33)27-22(23(28)26-21-14-12-20(13-15-21)24(29)30)16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-15,22,27H,16H2,1-2H3,(H,26,28)(H,29,30)(H2,31,32,33)