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

Systemtic Name: 4-methyl-2-[[2-[(4-phenylphenyl)carbonylamino]-3-(4-phosphonooxyphenyl)propanoyl]amino]pentanoic acid Openeye Name: 4-methyl-2-[[2-[(4-phenylbenzoyl)amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[1-oxo-2-[[oxo-(4-phenylphenyl)methyl]amino]-3-(4-phosphonooxyphenyl)propyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[2-[(4-phenylbenzoyl)amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[2-[(4-phenylbenzoyl)amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]valeric acid Formula: C28H31N2O8P MolecularWeight: 554.528101

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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)C3=CC=CC=C3

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)C3=CC=CC=C3

InChI

InChI=1S/C28H31N2O8P/c1-18(2)16-25(28(33)34)30-27(32)24(17-19-8-14-23(15-9-19)38-39(35,36)37)29-26(31)22-12-10-21(11-13-22)20-6-4-3-5-7-20/h3-15,18,24-25H,16-17H2,1-2H3,(H,29,31)(H,30,32)(H,33,34)(H2,35,36,37)