(2S,6S)-1-[(2-azanyl-2-oxidanylidene-ethyl)carbamoylamino]-2,6-dimethyl-cyclohexane-1-carboxylic acid

Systemtic Name: (2S,6S)-1-[(2-azanyl-2-oxidanylidene-ethyl)carbamoylamino]-2,6-dimethyl-cyclohexane-1-carboxylic acid Openeye Name: (2S,6S)-1-[(2-amino-2-oxo-ethyl)carbamoylamino]-2,6-dimethyl-cyclohexanecarboxylic acid CAS Name: (2S,6S)-1-[[[(2-amino-2-oxoethyl)amino]-oxomethyl]amino]-2,6-dimethyl-1-cyclohexanecarboxylic acid IUPAC Name: (2S,6S)-1-[(2-amino-2-oxoethyl)carbamoylamino]-2,6-dimethylcyclohexane-1-carboxylic acid Traditional Name: (2S,6S)-1-[(2-amino-2-keto-ethyl)carbamoylamino]-2,6-dimethyl-cyclohexanecarboxylic acid Formula: C12H21N3O4 MolecularWeight: 271.31284

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1(C(=O)O)NC(=O)NCC(=O)N)C

Isomeric SMILES

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

InChI

InChI=1S/C12H21N3O4/c1-7-4-3-5-8(2)12(7,10(17)18)15-11(19)14-6-9(13)16/h7-8H,3-6H2,1-2H3,(H2,13,16)(H,17,18)(H2,14,15,19)/t7-,8-/m0/s1