[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (2R)-2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butyric acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCCC#N)NC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)NCCC#N)NC(=O)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C21H31N3O4/c1-13(2)18(19(26)28-12-17(25)23-5-3-4-22)24-20(27)21-9-14-6-15(10-21)8-16(7-14)11-21/h13-16,18H,3,5-12H2,1-2H3,(H,23,25)(H,24,27)/t14?,15?,16?,18-,21?/m1/s1