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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] (2R)-2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butyric acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C21H34N2O4 MolecularWeight: 378.50566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O4/c1-12(2)18(19(25)27-11-17(24)22-13(3)4)23-20(26)21-8-14-5-15(9-21)7-16(6-14)10-21/h12-16,18H,5-11H2,1-4H3,(H,22,24)(H,23,26)/t14?,15?,16?,18-,21?/m1/s1