[[5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [5-(6-azanyl-7H-purin-8-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate; 2-azanyl-3-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)disulfanyl]propanoic acid

Systemtic Name: [[5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [5-(6-azanyl-7H-purin-8-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate; 2-azanyl-3-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)disulfanyl]propanoic acid Openeye Name: 2-amino-3-[(2-amino-3-hydroxy-3-oxo-propyl)disulfanyl]propanoic acid; [[5-(6-amino-7H-purin-8-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate CAS Name: 2-amino-3-[(2-amino-3-hydroxy-3-oxopropyl)disulfanyl]propanoic acid; [[5-(6-amino-7H-purin-8-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-2-oxolanyl]methyl hydrogen phosphate IUPAC Name: 2-amino-3-[(2-amino-3-hydroxy-3-oxopropyl)disulfanyl]propanoic acid; [[5-(6-amino-7H-purin-8-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate Traditional Name: 2-amino-3-[(2-amino-3-hydroxy-3-keto-propyl)disulfanyl]propionic acid; [[5-(6-amino-7H-purin-8-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate Formula: C27H41N9O18P2S2 MolecularWeight: 905.741462

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)C4=NC5=C(N4)C(=NC=N5)N)O)O)O)O.C(C(C(=O)O)N)SSCC(C(=O)O)N

Isomeric SMILES

C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)C4=NC5=C(N4)C(=NC=N5)N)O)O)O)O.C(C(C(=O)O)N)SSCC(C(=O)O)N

InChI

InChI=1S/C21H29N7O14P2.C6H12N2O4S2/c22-17-11-19(25-7-24-17)27-20(26-11)16-14(31)12(29)9(40-16)5-38-43(34,35)42-44(36,37)39-6-10-13(30)15(32)21(41-10)28-3-1-2-8(4-28)18(23)33;7-3(5(9)10)1-13-14-2-4(8)6(11)12/h1,3-4,7,9-10,12-16,21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H3,22,24,25,26,27);3-4H,1-2,7-8H2,(H,9,10)(H,11,12)