[(2R)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [(2R)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [(1R)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [(1R)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O4/c1-4-17-5-7-21(8-6-17)27-22(28)16(3)31-23(29)15(2)26-24(30)25-12-18-9-19(13-25)11-20(10-18)14-25/h5-8,15-16,18-20H,4,9-14H2,1-3H3,(H,26,30)(H,27,28)/t15-,16+,18?,19?,20?,25?/m0/s1