[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] (5S,7S)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] (5S,7S)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] (5S,7S)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7S)-3-hydroxy-1-adamantanecarboxylic acid [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (5S,7S)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7S)-3-hydroxyadamantane-1-carboxylic acid [2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl] ester Formula: C18H29NO4 MolecularWeight: 323.42716

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C12CC3CC(C1)CC(C3)(C2)O

Isomeric SMILES

CCC[C@H](C)NC(=O)COC(=O)C12C[C@@H]3C[C@@H](C1)CC(C3)(C2)O

InChI

InChI=1S/C18H29NO4/c1-3-4-12(2)19-15(20)10-23-16(21)17-6-13-5-14(7-17)9-18(22,8-13)11-17/h12-14,22H,3-11H2,1-2H3,(H,19,20)/t12-,13-,14-,17?,18?/m0/s1