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

Systemtic Name: 6-(2-aminocarbonyl-1,4-dimethyl-indol-5-yl)oxy-6-carbamimidoyl-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: 6-carbamimidoyl-6-(2-carbamoyl-1,4-dimethyl-indol-5-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: 6-carbamimidoyl-6-[(2-carbamoyl-1,4-dimethyl-5-indolyl)oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: 6-carbamimidoyl-6-(2-carbamoyl-1,4-dimethylindol-5-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: 6-amidino-6-(2-carbamoyl-1,4-dimethyl-indol-5-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C18H22N4O8 MolecularWeight: 422.38928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C=C(N2C)C(=O)N)OC3(C(C(C(C(O3)C(=O)O)O)O)O)C(=N)N

Isomeric SMILES

CC1=C(C=CC2=C1C=C(N2C)C(=O)N)OC3(C(C(C(C(O3)C(=O)O)O)O)O)C(=N)N

InChI

InChI=1S/C18H22N4O8/c1-6-7-5-9(15(19)26)22(2)8(7)3-4-10(6)29-18(17(20)21)14(25)12(24)11(23)13(30-18)16(27)28/h3-5,11-14,23-25H,1-2H3,(H2,19,26)(H3,20,21)(H,27,28)