2-phosphono-3-(4-pyrrolidin-2-ylbutyl)butanedioic acid

Systemtic Name: 2-phosphono-3-(4-pyrrolidin-2-ylbutyl)butanedioic acid Openeye Name: 2-phosphono-3-(4-pyrrolidin-2-ylbutyl)butanedioic acid CAS Name: 2-phosphono-3-[4-(2-pyrrolidinyl)butyl]butanedioic acid IUPAC Name: 2-phosphono-3-(4-pyrrolidin-2-ylbutyl)butanedioic acid Traditional Name: 2-phosphono-3-(4-pyrrolidin-2-ylbutyl)succinic acid Formula: C12H22NO7P MolecularWeight: 323.279341

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)CCCCC(C(C(=O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

C1CC(NC1)CCCCC(C(C(=O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C12H22NO7P/c14-11(15)9(10(12(16)17)21(18,19)20)6-2-1-4-8-5-3-7-13-8/h8-10,13H,1-7H2,(H,14,15)(H,16,17)(H2,18,19,20)