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

Systemtic Name: 2-[[2-[(3-aminophenyl)carbonylamino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[(3-aminobenzoyl)amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[(3-aminophenyl)-oxomethyl]amino]-1-oxo-3-(4-phosphonooxyphenyl)propyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[(3-aminobenzoyl)amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[(3-aminobenzoyl)amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-methyl-valeric acid Formula: C22H28N3O8P MolecularWeight: 493.446781

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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(=CC=C2)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(=CC=C2)N

InChI

InChI=1S/C22H28N3O8P/c1-13(2)10-19(22(28)29)25-21(27)18(24-20(26)15-4-3-5-16(23)12-15)11-14-6-8-17(9-7-14)33-34(30,31)32/h3-9,12-13,18-19H,10-11,23H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)(H2,30,31,32)