5-acetamido-2-(1-adamantylamino)-4-oxidanyl-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name: 5-acetamido-2-(1-adamantylamino)-4-oxidanyl-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: 5-acetamido-2-(1-adamantylamino)-4-hydroxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid CAS Name: 5-acetamido-2-(1-adamantylamino)-4-hydroxy-6-(1,2,3-trihydroxypropyl)-2-oxanecarboxylic acid IUPAC Name: 5-acetamido-2-(1-adamantylamino)-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid Traditional Name: 5-acetamido-2-(1-adamantylamino)-4-hydroxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid Formula: C21H34N2O8 MolecularWeight: 442.50326

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)NC23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)NC23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C21H34N2O8/c1-10(25)22-16-14(26)8-21(19(29)30,31-18(16)17(28)15(27)9-24)23-20-5-11-2-12(6-20)4-13(3-11)7-20/h11-18,23-24,26-28H,2-9H2,1H3,(H,22,25)(H,29,30)