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

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] (5S,7S)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] (5S,7S)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7S)-3-hydroxy-1-adamantanecarboxylic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] (5S,7S)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7S)-3-hydroxyadamantane-1-carboxylic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C24H34N2O5 MolecularWeight: 430.53716

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)C45CC6CC(C4)CC(C6)(C5)O

Isomeric SMILES

C1[C@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)OCC(=O)NC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H34N2O5/c27-19(25-21(29)26-23-7-14-1-15(8-23)3-16(2-14)9-23)12-31-20(28)22-5-17-4-18(6-22)11-24(30,10-17)13-22/h14-18,30H,1-13H2,(H2,25,26,27,29)/t14?,15?,16?,17-,18-,22?,23?,24?/m0/s1