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

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [(1R)-2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [(2R)-1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester IUPAC Name: [(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [(1R)-2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

C[C@H](C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C22H28N2O5/c1-14(18(25)24-20(27)23-12-15-5-3-2-4-6-15)29-19(26)21-8-16-7-17(9-21)11-22(28,10-16)13-21/h2-6,14,16-17,28H,7-13H2,1H3,(H2,23,24,25,27)/t14-,16-,17+,21?,22?/m1/s1