1-[2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]-4-methoxy-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]-4-methoxy-pyrrolidine-2-carboxylic acid Openeye Name: 4-methoxy-1-(4-methylsulfanyl-2-ureido-butanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(carbamoylamino)-4-(methylthio)-1-oxobutyl]-4-methoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(carbamoylamino)-4-methylsulfanylbutanoyl]-4-methoxypyrrolidine-2-carboxylic acid Traditional Name: 4-methoxy-1-[4-(methylthio)-2-ureido-butanoyl]proline Formula: C12H21N3O5S MolecularWeight: 319.37724

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)C(=O)C(CCSC)NC(=O)N)C(=O)O

Isomeric SMILES

COC1CC(N(C1)C(=O)C(CCSC)NC(=O)N)C(=O)O

InChI

InChI=1S/C12H21N3O5S/c1-20-7-5-9(11(17)18)15(6-7)10(16)8(3-4-21-2)14-12(13)19/h7-9H,3-6H2,1-2H3,(H,17,18)(H3,13,14,19)