5-acetamido-2-(1-adamantylamino)-6-[2-(1-adamantylamino)-1-oxidanyl-ethyl]-4-oxidanyl-oxane-2-carboxylic acid

Systemtic Name: 5-acetamido-2-(1-adamantylamino)-6-[2-(1-adamantylamino)-1-oxidanyl-ethyl]-4-oxidanyl-oxane-2-carboxylic acid Openeye Name: 5-acetamido-2-(1-adamantylamino)-6-[2-(1-adamantylamino)-1-hydroxy-ethyl]-4-hydroxy-tetrahydropyran-2-carboxylic acid CAS Name: 5-acetamido-2-(1-adamantylamino)-6-[2-(1-adamantylamino)-1-hydroxyethyl]-4-hydroxy-2-oxanecarboxylic acid IUPAC Name: 5-acetamido-2-(1-adamantylamino)-6-[2-(1-adamantylamino)-1-hydroxyethyl]-4-hydroxyoxane-2-carboxylic acid Traditional Name: 5-acetamido-2-(1-adamantylamino)-6-[2-(1-adamantylamino)-1-hydroxy-ethyl]-4-hydroxy-tetrahydropyran-2-carboxylic acid Formula: C30H47N3O6 MolecularWeight: 545.71068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(CNC23CC4CC(C2)CC(C4)C3)O)(C(=O)O)NC56CC7CC(C5)CC(C7)C6)O

Isomeric SMILES

CC(=O)NC1C(CC(OC1C(CNC23CC4CC(C2)CC(C4)C3)O)(C(=O)O)NC56CC7CC(C5)CC(C7)C6)O

InChI

InChI=1S/C30H47N3O6/c1-16(34)32-25-23(35)14-30(27(37)38,33-29-11-20-5-21(12-29)7-22(6-20)13-29)39-26(25)24(36)15-31-28-8-17-2-18(9-28)4-19(3-17)10-28/h17-26,31,33,35-36H,2-15H2,1H3,(H,32,34)(H,37,38)