[(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: [(1R)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butyric acid [(1R)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C21H33N3O5 MolecularWeight: 407.50382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NC(=O)NC)NC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC)OC(=O)[C@@H](C(C)C)NC(=O)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C21H33N3O5/c1-11(2)16(18(26)29-12(3)17(25)24-20(28)22-4)23-19(27)21-8-13-5-14(9-21)7-15(6-13)10-21/h11-16H,5-10H2,1-4H3,(H,23,27)(H2,22,24,25,28)/t12-,13?,14?,15?,16-,21?/m1/s1