(1S,3S,5S,7R)-3-acetamido-5-methyl-adamantane-1-carboxylic acid

Systemtic Name: (1S,3S,5S,7R)-3-acetamido-5-methyl-adamantane-1-carboxylic acid Openeye Name: (1S,3S,5S,7R)-3-acetamido-5-methyl-adamantane-1-carboxylic acid CAS Name: (1S,3S,5S,7R)-3-acetamido-5-methyl-1-adamantanecarboxylic acid IUPAC Name: (1S,3S,5S,7R)-3-acetamido-5-methyladamantane-1-carboxylic acid Traditional Name: (1S,3S,5S,7R)-3-acetamido-5-methyl-adamantane-1-carboxylic acid Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)(CC(C3)(C2)C(=O)O)C

Isomeric SMILES

CC(=O)N[C@@]12C[C@@H]3C[C@](C1)(C[C@@](C3)(C2)C(=O)O)C

InChI

InChI=1S/C14H21NO3/c1-9(16)15-14-5-10-3-12(2,7-14)6-13(4-10,8-14)11(17)18/h10H,3-8H2,1-2H3,(H,15,16)(H,17,18)/t10-,12+,13+,14+/m1/s1