2-[3-(1H-imidazol-5-yl)-2-methyl-butyl]-3-phosphono-butanedioic acid

Systemtic Name: 2-[3-(1H-imidazol-5-yl)-2-methyl-butyl]-3-phosphono-butanedioic acid Openeye Name: 2-[3-(1H-imidazol-5-yl)-2-methyl-butyl]-3-phosphono-butanedioic acid CAS Name: 2-[3-(1H-imidazol-5-yl)-2-methylbutyl]-3-phosphonobutanedioic acid IUPAC Name: 2-[3-(1H-imidazol-5-yl)-2-methylbutyl]-3-phosphonobutanedioic acid Traditional Name: 2-[3-(1H-imidazol-5-yl)-2-methyl-butyl]-3-phosphono-succinic acid Formula: C12H19N2O7P MolecularWeight: 334.262221

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(C(=O)O)P(=O)(O)O)C(=O)O)C(C)C1=CN=CN1

Isomeric SMILES

CC(CC(C(C(=O)O)P(=O)(O)O)C(=O)O)C(C)C1=CN=CN1

InChI

InChI=1S/C12H19N2O7P/c1-6(7(2)9-4-13-5-14-9)3-8(11(15)16)10(12(17)18)22(19,20)21/h4-8,10H,3H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)(H2,19,20,21)