[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)N1CCC2=CC=CC=C2C1)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C(=O)O[C@H](C)C(=O)N1CCC2=CC=CC=C2C1)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H34N2O4/c1-16(27-25(31)26-12-18-9-19(13-26)11-20(10-18)14-26)24(30)32-17(2)23(29)28-8-7-21-5-3-4-6-22(21)15-28/h3-6,16-20H,7-15H2,1-2H3,(H,27,31)/t16-,17+,18?,19?,20?,26?/m0/s1