7-(aminocarbonylamino)-6-[4-azanyl-6-[[4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-3-oxidanyl-oxan-2-yl]oxy-2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid

Systemtic Name: 7-(aminocarbonylamino)-6-[4-azanyl-6-[[4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-3-oxidanyl-oxan-2-yl]oxy-2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid Openeye Name: 6-[4-amino-6-[[3-(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-1-carboxy-propyl]carbamoyl]-3-hydroxy-tetrahydropyran-2-yl]oxy-2-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-7-ureido-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid CAS Name: 6-[[4-amino-6-[[[4-[(2-amino-3-hydroxy-3-oxopropyl)thio]-1-hydroxy-1-oxobutan-2-yl]amino]-oxomethyl]-3-hydroxy-2-oxanyl]oxy]-2-(4-amino-2-oxo-1-pyrimidinyl)-7-(carbamoylamino)-3-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid IUPAC Name: 6-[4-amino-6-[[4-(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-1-hydroxy-1-oxobutan-2-yl]carbamoyl]-3-hydroxyoxan-2-yl]oxy-2-(4-amino-2-oxopyrimidin-1-yl)-7-(carbamoylamino)-3-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid Traditional Name: 6-[4-amino-6-[[3-[(2-amino-3-hydroxy-3-keto-propyl)thio]-1-carboxy-propyl]carbamoyl]-3-hydroxy-tetrahydropyran-2-yl]oxy-2-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-7-ureido-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid Formula: C26H38N8O15S MolecularWeight: 734.68952

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(OC1C(=O)NC(CCSCC(C(=O)O)N)C(=O)O)OC2C(C3C(C(C(O3)N4C=CC(=NC4=O)N)O)OC2C(=O)O)NC(=O)N)O)N

Isomeric SMILES

C1C(C(C(OC1C(=O)NC(CCSCC(C(=O)O)N)C(=O)O)OC2C(C3C(C(C(O3)N4C=CC(=NC4=O)N)O)OC2C(=O)O)NC(=O)N)O)N

InChI

InChI=1S/C26H38N8O15S/c27-7-5-10(19(37)31-9(22(40)41)2-4-50-6-8(28)21(38)39)46-24(13(7)35)49-16-12(33-25(30)44)15-17(47-18(16)23(42)43)14(36)20(48-15)34-3-1-11(29)32-26(34)45/h1,3,7-10,12-18,20,24,35-36H,2,4-6,27-28H2,(H,31,37)(H,38,39)(H,40,41)(H,42,43)(H2,29,32,45)(H3,30,33,44)