2-(5-imidazol-1-ylpentyl)-3-phosphono-butanedioic acid

Systemtic Name: 2-(5-imidazol-1-ylpentyl)-3-phosphono-butanedioic acid Openeye Name: 2-(5-imidazol-1-ylpentyl)-3-phosphono-butanedioic acid CAS Name: 2-[5-(1-imidazolyl)pentyl]-3-phosphonobutanedioic acid IUPAC Name: 2-(5-imidazol-1-ylpentyl)-3-phosphonobutanedioic acid Traditional Name: 2-(5-imidazol-1-ylpentyl)-3-phosphono-succinic acid Formula: C12H19N2O7P MolecularWeight: 334.262221

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCCCC(C(C(=O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

C1=CN(C=N1)CCCCCC(C(C(=O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C12H19N2O7P/c15-11(16)9(10(12(17)18)22(19,20)21)4-2-1-3-6-14-7-5-13-8-14/h5,7-10H,1-4,6H2,(H,15,16)(H,17,18)(H2,19,20,21)