[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C23H33N3O4 MolecularWeight: 415.52582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H33N3O4/c24-15-23(5-2-1-3-6-23)26-19(27)14-30-20(28)4-7-25-21(29)22-11-16-8-17(12-22)10-18(9-16)13-22/h16-18H,1-14H2,(H,25,29)(H,26,27)