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

Systemtic Name: 1-[2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]piperidine-3-carboxylic acid Openeye Name: 1-(4-methylsulfanyl-2-ureido-butanoyl)piperidine-3-carboxylic acid CAS Name: 1-[2-(carbamoylamino)-4-(methylthio)-1-oxobutyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(carbamoylamino)-4-methylsulfanylbutanoyl]piperidine-3-carboxylic acid Traditional Name: 1-[4-(methylthio)-2-ureido-butanoyl]nipecotic acid Formula: C12H21N3O4S MolecularWeight: 303.37784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N3O4S/c1-20-6-4-9(14-12(13)19)10(16)15-5-2-3-8(7-15)11(17)18/h8-9H,2-7H2,1H3,(H,17,18)(H3,13,14,19)