1-[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(isobutylcarbamoylamino)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(isobutylcarbamoylamino)-2-keto-ethyl]nipecotic acid Formula: C13H23N3O4 MolecularWeight: 285.33942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)CN1CCCC(C1)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)NC(=O)CN1CCCC(C1)C(=O)O

InChI

InChI=1S/C13H23N3O4/c1-9(2)6-14-13(20)15-11(17)8-16-5-3-4-10(7-16)12(18)19/h9-10H,3-8H2,1-2H3,(H,18,19)(H2,14,15,17,20)