1-[2-(aminocarbonylamino)propanoylamino]-4-methyl-cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-(aminocarbonylamino)propanoylamino]-4-methyl-cyclohexane-1-carboxylic acid Openeye Name: 4-methyl-1-(2-ureidopropanoylamino)cyclohexanecarboxylic acid CAS Name: 1-[[2-(carbamoylamino)-1-oxopropyl]amino]-4-methyl-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-(carbamoylamino)propanoylamino]-4-methylcyclohexane-1-carboxylic acid Traditional Name: 4-methyl-1-(2-ureidopropanoylamino)cyclohexanecarboxylic acid Formula: C12H21N3O4 MolecularWeight: 271.31284

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C(=O)O)NC(=O)C(C)NC(=O)N

Isomeric SMILES

CC1CCC(CC1)(C(=O)O)NC(=O)C(C)NC(=O)N

InChI

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