[4-[3-[bis[3-(4-phosphonobutanoylamino)propyl]amino]propylamino]-4-oxidanylidene-butyl]phosphonic acid

Systemtic Name: [4-[3-[bis[3-(4-phosphonobutanoylamino)propyl]amino]propylamino]-4-oxidanylidene-butyl]phosphonic acid Openeye Name: [4-[3-[bis[3-(4-phosphonobutanoylamino)propyl]amino]propylamino]-4-oxo-butyl]phosphonic acid CAS Name: [4-[3-[bis[3-[(1-oxo-4-phosphonobutyl)amino]propyl]amino]propylamino]-4-oxobutyl]phosphonic acid IUPAC Name: [4-[3-[bis[3-(4-phosphonobutanoylamino)propyl]amino]propylamino]-4-oxobutyl]phosphonic acid Traditional Name: [4-[3-[bis[3-(4-phosphonobutanoylamino)propyl]amino]propylamino]-4-keto-butyl]phosphonic acid Formula: C21H45N4O12P3 MolecularWeight: 638.522883

Click to see the large picture

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)