2-[[2-[(4-cyanophenyl)carbonylamino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[(4-cyanophenyl)carbonylamino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[(4-cyanobenzoyl)amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[(4-cyanophenyl)-oxomethyl]amino]-1-oxo-3-(4-phosphonooxyphenyl)propyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[(4-cyanobenzoyl)amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[(4-cyanobenzoyl)amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-methyl-valeric acid Formula: C23H26N3O8P MolecularWeight: 503.441601

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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=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C23H26N3O8P/c1-14(2)11-20(23(29)30)26-22(28)19(25-21(27)17-7-3-16(13-24)4-8-17)12-15-5-9-18(10-6-15)34-35(31,32)33/h3-10,14,19-20H,11-12H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)(H2,31,32,33)