(5S,7S)-3-acetamidoadamantane-1-carboxylic acid

Systemtic Name: (5S,7S)-3-acetamidoadamantane-1-carboxylic acid Openeye Name: (5S,7S)-3-acetamidoadamantane-1-carboxylic acid CAS Name: (5S,7S)-3-acetamido-1-adamantanecarboxylic acid IUPAC Name: (5S,7S)-3-acetamidoadamantane-1-carboxylic acid Traditional Name: (5S,7S)-3-acetamidoadamantane-1-carboxylic acid Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)NC12C[C@H]3C[C@H](C1)CC(C3)(C2)C(=O)O

InChI

InChI=1S/C13H19NO3/c1-8(15)14-13-5-9-2-10(6-13)4-12(3-9,7-13)11(16)17/h9-10H,2-7H2,1H3,(H,14,15)(H,16,17)/t9-,10-,12?,13?/m0/s1