N-[3-[bis[3-(4-phosphonatobutanoylamino)propyl]amino]propyl]-4-phosphonato-butanamide

Systemtic Name: N-[3-[bis[3-(4-phosphonatobutanoylamino)propyl]amino]propyl]-4-phosphonato-butanamide Openeye Name: N-[3-[bis[3-(4-phosphonatobutanoylamino)propyl]amino]propyl]-4-phosphonato-butanamide CAS Name: N-[3-[bis[3-[(1-oxo-4-phosphonatobutyl)amino]propyl]amino]propyl]-4-phosphonatobutanamide IUPAC Name: N-[3-[bis[3-(4-phosphonatobutanoylamino)propyl]amino]propyl]-4-phosphonatobutanamide Traditional Name: N-[3-[bis[3-(4-phosphonatobutanoylamino)propyl]amino]propyl]-4-phosphonato-butyramide Formula: C21H39N4O12P3-6 MolecularWeight: 632.475243

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)NCCCN(CCCNC(=O)CCCP(=O)([O-])[O-])CCCNC(=O)CCCP(=O)([O-])[O-])CP(=O)([O-])[O-]

Isomeric SMILES

C(CC(=O)NCCCN(CCCNC(=O)CCCP(=O)([O-])[O-])CCCNC(=O)CCCP(=O)([O-])[O-])CP(=O)([O-])[O-]

InChI

InChI=1S/C21H45N4O12P3/c26-19(7-1-16-38(29,30)31)22-10-4-13-25(14-5-11-23-20(27)8-2-17-39(32,33)34)15-6-12-24-21(28)9-3-18-40(35,36)37/h1-18H2,(H,22,26)(H,23,27)(H,24,28)(H2,29,30,31)(H2,32,33,34)(H2,35,36,37)/p-6