3-[bis(3-phosphonatopentan-3-yl)amino]propanoic acid

Systemtic Name: 3-[bis(3-phosphonatopentan-3-yl)amino]propanoic acid Openeye Name: 3-[bis(1-ethyl-1-phosphonato-propyl)amino]propanoic acid CAS Name: 3-[bis(3-phosphonatopentan-3-yl)amino]propanoic acid IUPAC Name: 3-[bis(3-phosphonatopentan-3-yl)amino]propanoic acid Traditional Name: 3-[bis(1-ethyl-1-phosphonato-propyl)amino]propionic acid Formula: C13H25NO8P2-4 MolecularWeight: 385.287022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(N(CCC(=O)O)C(CC)(CC)P(=O)([O-])[O-])P(=O)([O-])[O-]

Isomeric SMILES

CCC(CC)(N(CCC(=O)O)C(CC)(CC)P(=O)([O-])[O-])P(=O)([O-])[O-]

InChI

InChI=1S/C13H29NO8P2/c1-5-12(6-2,23(17,18)19)14(10-9-11(15)16)13(7-3,8-4)24(20,21)22/h5-10H2,1-4H3,(H,15,16)(H2,17,18,19)(H2,20,21,22)/p-4