[1-[1-(2-azanylethanoyl)-2-cyano-pyrrolidin-2-yl]-2-adamantyl] N-tert-butylcarbamate

Systemtic Name: [1-[1-(2-azanylethanoyl)-2-cyano-pyrrolidin-2-yl]-2-adamantyl] N-tert-butylcarbamate Openeye Name: [1-[1-(2-aminoacetyl)-2-cyano-pyrrolidin-2-yl]-2-adamantyl] N-tert-butylcarbamate CAS Name: N-tert-butylcarbamic acid [1-[1-(2-amino-1-oxoethyl)-2-cyano-2-pyrrolidinyl]-2-adamantyl] ester IUPAC Name: [1-[1-(2-aminoacetyl)-2-cyanopyrrolidin-2-yl]-2-adamantyl] N-tert-butylcarbamate Traditional Name: N-tert-butylcarbamic acid [1-(2-cyano-1-glycyl-pyrrolidin-2-yl)-2-adamantyl] ester Formula: C22H34N4O3 MolecularWeight: 402.53036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)OC1C2CC3CC(C2)CC1(C3)C4(CCCN4C(=O)CN)C#N

Isomeric SMILES

CC(C)(C)NC(=O)OC1C2CC3CC(C2)CC1(C3)C4(CCCN4C(=O)CN)C#N

InChI

InChI=1S/C22H34N4O3/c1-20(2,3)25-19(28)29-18-16-8-14-7-15(9-16)11-21(18,10-14)22(13-24)5-4-6-26(22)17(27)12-23/h14-16,18H,4-12,23H2,1-3H3,(H,25,28)