[3-[[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]-(3-oxidanylidenebutyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]-(3-oxidanylidenebutyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-3-[[3-(4-methylpiperazin-1-yl)-3-oxo-propyl]-(3-oxobutyl)amino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-[[3-(4-methyl-1-piperazinyl)-3-oxopropyl]-(3-oxobutyl)amino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-3-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-(3-oxobutyl)amino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-3-[3-ketobutyl-[3-keto-3-(4-methylpiperazino)propyl]amino]-1-phosphono-propyl]phosphonic acid Formula: C15H31N3O9P2 MolecularWeight: 459.368862

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN(CCC(=O)N1CCN(CC1)C)CCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(=O)CCN(CCC(=O)N1CCN(CC1)C)CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C15H31N3O9P2/c1-13(19)3-6-17(7-4-14(20)18-11-9-16(2)10-12-18)8-5-15(21,28(22,23)24)29(25,26)27/h21H,3-12H2,1-2H3,(H2,22,23,24)(H2,25,26,27)