N-[2-[bis[2-(4-phosphonatobutanoylamino)ethyl]amino]ethyl]-4-phosphonato-butanamide

Systemtic Name: N-[2-[bis[2-(4-phosphonatobutanoylamino)ethyl]amino]ethyl]-4-phosphonato-butanamide Openeye Name: N-[2-[bis[2-(4-phosphonatobutanoylamino)ethyl]amino]ethyl]-4-phosphonato-butanamide CAS Name: N-[2-[bis[2-[(1-oxo-4-phosphonatobutyl)amino]ethyl]amino]ethyl]-4-phosphonatobutanamide IUPAC Name: N-[2-[bis[2-(4-phosphonatobutanoylamino)ethyl]amino]ethyl]-4-phosphonatobutanamide Traditional Name: N-[2-[bis[2-(4-phosphonatobutanoylamino)ethyl]amino]ethyl]-4-phosphonato-butyramide Formula: C18H33N4O12P3-6 MolecularWeight: 590.395503

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)NCCN(CCNC(=O)CCCP(=O)([O-])[O-])CCNC(=O)CCCP(=O)([O-])[O-])CP(=O)([O-])[O-]

Isomeric SMILES

C(CC(=O)NCCN(CCNC(=O)CCCP(=O)([O-])[O-])CCNC(=O)CCCP(=O)([O-])[O-])CP(=O)([O-])[O-]

InChI

InChI=1S/C18H39N4O12P3/c23-16(4-1-13-35(26,27)28)19-7-10-22(11-8-20-17(24)5-2-14-36(29,30)31)12-9-21-18(25)6-3-15-37(32,33)34/h1-15H2,(H,19,23)(H,20,24)(H,21,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34)/p-6