[[[2-(2-azanylethylamino)-1-phosphono-ethyl]-phosphono-amino]-diphosphono-methyl]phosphonic acid

Systemtic Name: [[[2-(2-azanylethylamino)-1-phosphono-ethyl]-phosphono-amino]-diphosphono-methyl]phosphonic acid Openeye Name: [[[2-(2-aminoethylamino)-1-phosphono-ethyl]-phosphono-amino]-diphosphono-methyl]phosphonic acid CAS Name: [[[2-(2-aminoethylamino)-1-phosphonoethyl]-phosphonoamino]-diphosphonomethyl]phosphonic acid IUPAC Name: [[[2-(2-aminoethylamino)-1-phosphonoethyl]-phosphonoamino]-diphosphonomethyl]phosphonic acid Traditional Name: [[[2-(2-aminoethylamino)-1-phosphono-ethyl]-phosphono-amino]-diphosphono-methyl]phosphonic acid Formula: C5H20N3O15P5 MolecularWeight: 517.092205

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Descriptors Computed from Structure

Canonical SMILES:

C(CNCC(N(C(P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)N

Isomeric SMILES

C(CNCC(N(C(P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)N

InChI

InChI=1S/C5H20N3O15P5/c6-1-2-7-3-4(24(9,10)11)8(28(21,22)23)5(25(12,13)14,26(15,16)17)27(18,19)20/h4,7H,1-3,6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)