(2S,6S)-1-(but-3-ynylcarbamoylamino)-2,6-dimethyl-cyclohexane-1-carboxylic acid

Systemtic Name: (2S,6S)-1-(but-3-ynylcarbamoylamino)-2,6-dimethyl-cyclohexane-1-carboxylic acid Openeye Name: (2S,6S)-1-(but-3-ynylcarbamoylamino)-2,6-dimethyl-cyclohexanecarboxylic acid CAS Name: (2S,6S)-1-[[(but-3-ynylamino)-oxomethyl]amino]-2,6-dimethyl-1-cyclohexanecarboxylic acid IUPAC Name: (2S,6S)-1-(but-3-ynylcarbamoylamino)-2,6-dimethylcyclohexane-1-carboxylic acid Traditional Name: (2S,6S)-1-(but-3-ynylcarbamoylamino)-2,6-dimethyl-cyclohexanecarboxylic acid Formula: C14H22N2O3 MolecularWeight: 266.33608

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1(C(=O)O)NC(=O)NCCC#C)C

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O3/c1-4-5-9-15-13(19)16-14(12(17)18)10(2)7-6-8-11(14)3/h1,10-11H,5-9H2,2-3H3,(H,17,18)(H2,15,16,19)/t10-,11-/m0/s1