[(2S)-1-oxidanylidene-1-(phenylcarbamoylamino)propan-2-yl] (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(phenylcarbamoylamino)propan-2-yl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(phenylcarbamoylamino)ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [(2S)-1-[[anilino(oxo)methyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(phenylcarbamoylamino)propan-2-yl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [(1S)-2-keto-1-methyl-2-(phenylcarbamoylamino)ethyl] ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=CC=C1)OC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC1=CC=CC=C1)OC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C21H26N2O5/c1-13(17(24)23-19(26)22-16-5-3-2-4-6-16)28-18(25)20-8-14-7-15(9-20)11-21(27,10-14)12-20/h2-6,13-15,27H,7-12H2,1H3,(H2,22,23,24,26)/t13-,14-,15+,20?,21?/m0/s1