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

Systemtic Name: 1-[2-(aminocarbonylamino)-3-methyl-pentanoyl]piperidine-3-carboxylic acid Openeye Name: 1-(3-methyl-2-ureido-pentanoyl)piperidine-3-carboxylic acid CAS Name: 1-[2-(carbamoylamino)-3-methyl-1-oxopentyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(carbamoylamino)-3-methylpentanoyl]piperidine-3-carboxylic acid Traditional Name: 1-(3-methyl-2-ureido-pentanoyl)nipecotic acid Formula: C13H23N3O4 MolecularWeight: 285.33942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCC(C1)C(=O)O)NC(=O)N

Isomeric SMILES

CCC(C)C(C(=O)N1CCCC(C1)C(=O)O)NC(=O)N

InChI

InChI=1S/C13H23N3O4/c1-3-8(2)10(15-13(14)20)11(17)16-6-4-5-9(7-16)12(18)19/h8-10H,3-7H2,1-2H3,(H,18,19)(H3,14,15,20)