2-[[4-[[2-azanyl-5-[[1-[5-[[methoxy(oxidanyl)phosphoryl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]methyl]-4-oxidanylidene-1,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[[2-azanyl-5-[[1-[5-[[methoxy(oxidanyl)phosphoryl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]methyl]-4-oxidanylidene-1,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[2-amino-5-[[1-[4-hydroxy-5-[[hydroxy(methoxy)phosphoryl]oxymethyl]tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidin-5-yl]methyl]-4-oxo-1,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[2-amino-5-[[1-[4-hydroxy-5-[[hydroxy(methoxy)phosphoryl]oxymethyl]-2-oxolanyl]-2,4-dioxo-5-pyrimidinyl]methyl]-4-oxo-1,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[2-amino-5-[[1-[4-hydroxy-5-[[hydroxy(methoxy)phosphoryl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-4-oxo-1,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[2-amino-5-[[1-[4-hydroxy-5-[[hydroxy(methoxy)phosphoryl]oxymethyl]tetrahydrofuran-2-yl]-2,4-diketo-pyrimidin-5-yl]methyl]-4-keto-1,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methylamino]benzoyl]amino]glutaric acid Formula: C31H39N8O14P MolecularWeight: 778.660321

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)CN3C(CCC4=C3C(=O)N=C(N4)N)CNC5=CC=C(C=C5)C(=O)NC(CCC(=O)O)C(=O)O)O

Isomeric SMILES

COP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)CN3C(CCC4=C3C(=O)N=C(N4)N)CNC5=CC=C(C=C5)C(=O)NC(CCC(=O)O)C(=O)O)O

InChI

InChI=1S/C31H39N8O14P/c1-51-54(49,50)52-14-22-21(40)10-23(53-22)39-13-16(27(44)37-31(39)48)12-38-18(6-7-19-25(38)28(45)36-30(32)35-19)11-33-17-4-2-15(3-5-17)26(43)34-20(29(46)47)8-9-24(41)42/h2-5,13,18,20-23,33,40H,6-12,14H2,1H3,(H,34,43)(H,41,42)(H,46,47)(H,49,50)(H,37,44,48)(H3,32,35,36,45)