4-(2-azanylethylamino)-3-[bis(diphosphonomethyl)amino]-3-(carboxymethyl)hexanedioic acid

Systemtic Name: 4-(2-azanylethylamino)-3-[bis(diphosphonomethyl)amino]-3-(carboxymethyl)hexanedioic acid Openeye Name: 4-(2-aminoethylamino)-3-[bis(diphosphonomethyl)amino]-3-(carboxymethyl)hexanedioic acid CAS Name: 4-(2-aminoethylamino)-3-[bis(diphosphonomethyl)amino]-3-(carboxymethyl)hexanedioic acid IUPAC Name: 4-(2-aminoethylamino)-3-[bis(diphosphonomethyl)amino]-3-(carboxymethyl)hexanedioic acid Traditional Name: 4-(2-aminoethylamino)-3-[bis(diphosphonomethyl)amino]-3-(carboxymethyl)adipic acid Formula: C12H27N3O18P4 MolecularWeight: 625.247124

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Descriptors Computed from Structure

Canonical SMILES:

C(CNC(CC(=O)O)C(CC(=O)O)(CC(=O)O)N(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O)N

Isomeric SMILES

C(CNC(CC(=O)O)C(CC(=O)O)(CC(=O)O)N(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O)N

InChI

InChI=1S/C12H27N3O18P4/c13-1-2-14-6(3-7(16)17)12(4-8(18)19,5-9(20)21)15(10(34(22,23)24)35(25,26)27)11(36(28,29)30)37(31,32)33/h6,10-11,14H,1-5,13H2,(H,16,17)(H,18,19)(H,20,21)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)