(2S,6S)-2,6-dimethyl-1-(prop-2-ynylcarbamoylamino)cyclohexane-1-carboxylate

Systemtic Name: (2S,6S)-2,6-dimethyl-1-(prop-2-ynylcarbamoylamino)cyclohexane-1-carboxylate Openeye Name: (2S,6S)-2,6-dimethyl-1-(prop-2-ynylcarbamoylamino)cyclohexanecarboxylate CAS Name: (2S,6S)-2,6-dimethyl-1-[[oxo-(prop-2-ynylamino)methyl]amino]-1-cyclohexanecarboxylate IUPAC Name: (2S,6S)-2,6-dimethyl-1-(prop-2-ynylcarbamoylamino)cyclohexane-1-carboxylate Traditional Name: (2S,6S)-2,6-dimethyl-1-(propargylcarbamoylamino)cyclohexanecarboxylate Formula: C13H19N2O3- MolecularWeight: 251.30156

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1(C(=O)[O-])NC(=O)NCC#C)C

Isomeric SMILES

C[C@H]1CCC[C@@H](C1(C(=O)[O-])NC(=O)NCC#C)C

InChI

InChI=1S/C13H20N2O3/c1-4-8-14-12(18)15-13(11(16)17)9(2)6-5-7-10(13)3/h1,9-10H,5-8H2,2-3H3,(H,16,17)(H2,14,15,18)/p-1/t9-,10-/m0/s1