[4-[2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl]-7,10-bis[[methyl(oxidanyl)phosphoryl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl-methyl-phosphinic acid

Systemtic Name: [4-[2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl]-7,10-bis[[methyl(oxidanyl)phosphoryl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl-methyl-phosphinic acid Openeye Name: [4-[2-(diisobutylamino)-2-oxo-ethyl]-7,10-bis[[hydroxy(methyl)phosphoryl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl-methyl-phosphinic acid CAS Name: [4-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-7,10-bis[[hydroxy(methyl)phosphoryl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl-methylphosphinic acid IUPAC Name: [4-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-7,10-bis[[hydroxy(methyl)phosphoryl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl-methylphosphinic acid Traditional Name: [4-[2-(diisobutylamino)-2-keto-ethyl]-7,10-bis[[hydroxy(methyl)phosphoryl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl-methyl-phosphinic acid Formula: C24H54N5O7P3 MolecularWeight: 617.636143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=O)CN1CCN(CCN(CCN(CC1)CP(=O)(C)O)CP(=O)(C)O)CP(=O)(C)O

Isomeric SMILES

CC(C)CN(CC(C)C)C(=O)CN1CCN(CCN(CCN(CC1)CP(=O)(C)O)CP(=O)(C)O)CP(=O)(C)O

InChI

InChI=1S/C24H54N5O7P3/c1-22(2)16-29(17-23(3)4)24(30)18-25-8-10-26(19-37(5,31)32)12-14-28(21-39(7,35)36)15-13-27(11-9-25)20-38(6,33)34/h22-23H,8-21H2,1-7H3,(H,31,32)(H,33,34)(H,35,36)