2-[3-[(5-azanyl-4-methyl-4-oxidanyl-1-oxidanylidene-5-phenyl-heptan-3-yl)oxymethyl]phenyl]propanedioic acid

Systemtic Name: 2-[3-[(5-azanyl-4-methyl-4-oxidanyl-1-oxidanylidene-5-phenyl-heptan-3-yl)oxymethyl]phenyl]propanedioic acid Openeye Name: 2-[3-[[3-amino-2-hydroxy-2-methyl-1-(2-oxoethyl)-3-phenyl-pentoxy]methyl]phenyl]propanedioic acid CAS Name: 2-[3-[(5-amino-4-hydroxy-4-methyl-1-oxo-5-phenylheptan-3-yl)oxymethyl]phenyl]propanedioic acid IUPAC Name: 2-[3-[(5-amino-4-hydroxy-4-methyl-1-oxo-5-phenylheptan-3-yl)oxymethyl]phenyl]propanedioic acid Traditional Name: 2-[3-[[3-amino-2-hydroxy-1-(2-ketoethyl)-2-methyl-3-phenyl-pentoxy]methyl]phenyl]malonic acid Formula: C24H29NO7 MolecularWeight: 443.48956

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)(C(C)(C(CC=O)OCC2=CC(=CC=C2)C(C(=O)O)C(=O)O)O)N

Isomeric SMILES

CCC(C1=CC=CC=C1)(C(C)(C(CC=O)OCC2=CC(=CC=C2)C(C(=O)O)C(=O)O)O)N

InChI

InChI=1S/C24H29NO7/c1-3-24(25,18-10-5-4-6-11-18)23(2,31)19(12-13-26)32-15-16-8-7-9-17(14-16)20(21(27)28)22(29)30/h4-11,13-14,19-20,31H,3,12,15,25H2,1-2H3,(H,27,28)(H,29,30)