1-[2-(aminocarbonylamino)-3-methyl-butanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(aminocarbonylamino)-3-methyl-butanoyl]piperidine-4-carboxylic acid Openeye Name: 1-(3-methyl-2-ureido-butanoyl)piperidine-4-carboxylic acid CAS Name: 1-[2-(carbamoylamino)-3-methyl-1-oxobutyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-4-carboxylic acid Traditional Name: 1-(3-methyl-2-ureido-butanoyl)isonipecotic acid Formula: C12H21N3O4 MolecularWeight: 271.31284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC(CC1)C(=O)O)NC(=O)N

Isomeric SMILES

CC(C)C(C(=O)N1CCC(CC1)C(=O)O)NC(=O)N

InChI

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