4-methyl-2-[[2-phosphono-3-(4-propan-2-ylphenyl)propanoyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[2-phosphono-3-(4-propan-2-ylphenyl)propanoyl]amino]pentanoic acid Openeye Name: 2-[[3-(4-isopropylphenyl)-2-phosphono-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 4-methyl-2-[[1-oxo-2-phosphono-3-(4-propan-2-ylphenyl)propyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[2-phosphono-3-(4-propan-2-ylphenyl)propanoyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[(3-p-cumenyl-2-phosphono-propanoyl)amino]valeric acid Formula: C18H28NO6P MolecularWeight: 385.391781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28NO6P/c1-11(2)9-15(18(21)22)19-17(20)16(26(23,24)25)10-13-5-7-14(8-6-13)12(3)4/h5-8,11-12,15-16H,9-10H2,1-4H3,(H,19,20)(H,21,22)(H2,23,24,25)