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

Systemtic Name: [(1R)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenyl-ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [(1R)-2-(ethylcarbamoylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5/c1-2-23-20(27)24-18(25)17(16-6-4-3-5-7-16)29-19(26)21-9-14-8-15(10-21)12-22(28,11-14)13-21/h3-7,14-15,17,28H,2,8-13H2,1H3,(H2,23,24,25,27)/t14-,15+,17-,21?,22?/m1/s1