methyl 1-[2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-(4-methylsulfanyl-2-ureido-butanoyl)piperidine-4-carboxylate CAS Name: 1-[2-(carbamoylamino)-4-(methylthio)-1-oxobutyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(carbamoylamino)-4-methylsulfanylbutanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(methylthio)-2-ureido-butanoyl]isonipecotic acid methyl ester Formula: C13H23N3O4S MolecularWeight: 317.40442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C(CCSC)NC(=O)N

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C(CCSC)NC(=O)N

InChI

InChI=1S/C13H23N3O4S/c1-20-12(18)9-3-6-16(7-4-9)11(17)10(5-8-21-2)15-13(14)19/h9-10H,3-8H2,1-2H3,(H3,14,15,19)