[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [(1S)-2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl] ester Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)OC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C21H25ClN2O4/c1-23-19(27)24-17(25)16(15-5-3-2-4-6-15)28-18(26)20-8-13-7-14(9-20)11-21(22,10-13)12-20/h2-6,13-14,16H,7-12H2,1H3,(H2,23,24,25,27)/t13-,14+,16-,20?,21?/m0/s1