2-[[4-[1-(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)-3-[[2-[[3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanyl-propan-2-yl]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[1-(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)-3-[[2-[[3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanyl-propan-2-yl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[1-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl]-2-[[2-[[3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]amino]-2-oxo-ethyl]amino]-1-hydroxy-ethyl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[1-(2-amino-4-oxo-1H-quinazolin-6-yl)-3-[[2-[[3,4-dihydroxy-5-(phosphonooxymethyl)-2-oxolanyl]amino]-2-oxoethyl]amino]-2-hydroxypropan-2-yl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[1-(2-amino-4-oxo-1H-quinazolin-6-yl)-3-[[2-[[3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]amino]-2-oxoethyl]amino]-2-hydroxypropan-2-yl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[1-[(2-amino-4-keto-1H-quinazolin-6-yl)methyl]-2-[[2-[[3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]amino]-2-keto-ethyl]amino]-1-hydroxy-ethyl]benzoyl]amino]glutaric acid Formula: C30H37N6O15P MolecularWeight: 752.619741

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)C(CC2=CC3=C(C=C2)NC(=NC3=O)N)(CNCC(=O)NC4C(C(C(O4)COP(=O)(O)O)O)O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)C(CC2=CC3=C(C=C2)NC(=NC3=O)N)(CNCC(=O)NC4C(C(C(O4)COP(=O)(O)O)O)O)O

InChI

InChI=1S/C30H37N6O15P/c31-29-34-18-6-1-14(9-17(18)26(43)36-29)10-30(46,16-4-2-15(3-5-16)25(42)33-19(28(44)45)7-8-22(38)39)13-32-11-21(37)35-27-24(41)23(40)20(51-27)12-50-52(47,48)49/h1-6,9,19-20,23-24,27,32,40-41,46H,7-8,10-13H2,(H,33,42)(H,35,37)(H,38,39)(H,44,45)(H2,47,48,49)(H3,31,34,36,43)