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

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [(1R)-2-(4-cyanoanilino)-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-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)O[C@H](C)C(=O)NC1=CC=C(C=C1)C#N)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H29N3O4/c1-14(26-23(30)24-10-17-7-18(11-24)9-19(8-17)12-24)22(29)31-15(2)21(28)27-20-5-3-16(13-25)4-6-20/h3-6,14-15,17-19H,7-12H2,1-2H3,(H,26,30)(H,27,28)/t14-,15+,17?,18?,19?,24?/m0/s1