6-(2-aminocarbonyl-1-methyl-indol-6-yl)oxy-6-carbamimidoyl-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: 6-(2-aminocarbonyl-1-methyl-indol-6-yl)oxy-6-carbamimidoyl-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: 6-carbamimidoyl-6-(2-carbamoyl-1-methyl-indol-6-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: 6-carbamimidoyl-6-[(2-carbamoyl-1-methyl-6-indolyl)oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: 6-carbamimidoyl-6-(2-carbamoyl-1-methylindol-6-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: 6-amidino-6-(2-carbamoyl-1-methyl-indol-6-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C17H20N4O8 MolecularWeight: 408.3627

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C=C(C=C2)OC3(C(C(C(C(O3)C(=O)O)O)O)O)C(=N)N)C(=O)N

Isomeric SMILES

CN1C(=CC2=C1C=C(C=C2)OC3(C(C(C(C(O3)C(=O)O)O)O)O)C(=N)N)C(=O)N

InChI

InChI=1S/C17H20N4O8/c1-21-8-5-7(3-2-6(8)4-9(21)14(18)25)28-17(16(19)20)13(24)11(23)10(22)12(29-17)15(26)27/h2-5,10-13,22-24H,1H3,(H2,18,25)(H3,19,20)(H,26,27)