[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] (2R)-2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butyric acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O4/c1-12(2)19(20(27)29-11-18(26)17(10-23)13(3)24)25-21(28)22-7-14-4-15(8-22)6-16(5-14)9-22/h12,14-17,19,24H,4-9,11H2,1-3H3,(H,25,28)/t14?,15?,16?,17-,19+,22?/m0/s1