[(2S)-1-oxidanylidene-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] adamantane-1-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] adamantane-1-carboxylate Openeye Name: [(1S)-1-methyl-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [(1S)-2-keto-1-methyl-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C24H33NO3 MolecularWeight: 383.52372

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C(C)OC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)[C@H](C)OC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H33NO3/c1-16(8-9-18-6-4-3-5-7-18)25-22(26)17(2)28-23(27)24-13-19-10-20(14-24)12-21(11-19)15-24/h3-7,16-17,19-21H,8-15H2,1-2H3,(H,25,26)/t16-,17+,19?,20?,21?,24?/m1/s1