4-methyl-2-[[3-(4-phosphonooxyphenyl)-2-(quinolin-3-ylcarbonylamino)propanoyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[3-(4-phosphonooxyphenyl)-2-(quinolin-3-ylcarbonylamino)propanoyl]amino]pentanoic acid Openeye Name: 4-methyl-2-[[3-(4-phosphonooxyphenyl)-2-(quinoline-3-carbonylamino)propanoyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[1-oxo-2-[[oxo(3-quinolinyl)methyl]amino]-3-(4-phosphonooxyphenyl)propyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[3-(4-phosphonooxyphenyl)-2-(quinoline-3-carbonylamino)propanoyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[3-(4-phosphonooxyphenyl)-2-(quinoline-3-carbonylamino)propanoyl]amino]valeric acid Formula: C25H28N3O8P MolecularWeight: 529.478881

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)C2=CC3=CC=CC=C3N=C2

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)C2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C25H28N3O8P/c1-15(2)11-22(25(31)32)28-24(30)21(12-16-7-9-19(10-8-16)36-37(33,34)35)27-23(29)18-13-17-5-3-4-6-20(17)26-14-18/h3-10,13-15,21-22H,11-12H2,1-2H3,(H,27,29)(H,28,30)(H,31,32)(H2,33,34,35)