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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] (2R)-2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butyric acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1CC1)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)NC1CC1)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H32N2O4/c1-12(2)18(19(25)27-11-17(24)22-16-3-4-16)23-20(26)21-8-13-5-14(9-21)7-15(6-13)10-21/h12-16,18H,3-11H2,1-2H3,(H,22,24)(H,23,26)/t13?,14?,15?,18-,21?/m1/s1