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

Systemtic Name: methyl 1-[2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-(4-methylsulfanyl-2-ureido-butanoyl)pyrrolidine-2-carboxylate CAS Name: 1-[2-(carbamoylamino)-4-(methylthio)-1-oxobutyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(carbamoylamino)-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[4-(methylthio)-2-ureido-butanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C12H21N3O4S MolecularWeight: 303.37784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C(CCSC)NC(=O)N

Isomeric SMILES

COC(=O)C1CCCN1C(=O)C(CCSC)NC(=O)N

InChI

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