[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C19H28N4O4 MolecularWeight: 376.45002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C19H28N4O4/c20-3-1-4-21-16(24)12-27-17(25)2-5-22-18(26)23-19-9-13-6-14(10-19)8-15(7-13)11-19/h13-15H,1-2,4-12H2,(H,21,24)(H2,22,23,26)