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

Systemtic Name: 3-[[3-(4-phenylphenyl)-2-(2-phosphonopropan-2-ylamino)propanoyl]amino]propanoic acid Openeye Name: 3-[[2-[(1-methyl-1-phosphono-ethyl)amino]-3-(4-phenylphenyl)propanoyl]amino]propanoic acid CAS Name: 3-[[1-oxo-3-(4-phenylphenyl)-2-(2-phosphonopropan-2-ylamino)propyl]amino]propanoic acid IUPAC Name: 3-[[3-(4-phenylphenyl)-2-(2-phosphonopropan-2-ylamino)propanoyl]amino]propanoic acid Traditional Name: 3-[[2-[(1-methyl-1-phosphono-ethyl)amino]-3-(4-phenylphenyl)propanoyl]amino]propionic acid Formula: C21H27N2O6P MolecularWeight: 434.422641

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(NC(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)NCCC(=O)O)P(=O)(O)O

Isomeric SMILES

CC(C)(NC(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)NCCC(=O)O)P(=O)(O)O

InChI

InChI=1S/C21H27N2O6P/c1-21(2,30(27,28)29)23-18(20(26)22-13-12-19(24)25)14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,18,23H,12-14H2,1-2H3,(H,22,26)(H,24,25)(H2,27,28,29)