4-azanyl-1-[(4-oxidanyl-4-oxidanylidene-butyl)carbamothioyl]pyrrolidine-2,4-dicarboxylic acid

Systemtic Name: 4-azanyl-1-[(4-oxidanyl-4-oxidanylidene-butyl)carbamothioyl]pyrrolidine-2,4-dicarboxylic acid Openeye Name: 4-amino-1-[(4-hydroxy-4-oxo-butyl)carbamothioyl]pyrrolidine-2,4-dicarboxylic acid CAS Name: 4-amino-1-[[(4-hydroxy-4-oxobutyl)amino]-sulfanylidenemethyl]pyrrolidine-2,4-dicarboxylic acid IUPAC Name: 4-amino-1-[(4-hydroxy-4-oxobutyl)carbamothioyl]pyrrolidine-2,4-dicarboxylic acid Traditional Name: 4-amino-1-[(4-hydroxy-4-keto-butyl)thiocarbamoyl]pyrrolidine-2,4-dicarboxylic acid Formula: C11H17N3O6S MolecularWeight: 319.33418

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC1(C(=O)O)N)C(=S)NCCCC(=O)O)C(=O)O

Isomeric SMILES

C1C(N(CC1(C(=O)O)N)C(=S)NCCCC(=O)O)C(=O)O

InChI

InChI=1S/C11H17N3O6S/c12-11(9(19)20)4-6(8(17)18)14(5-11)10(21)13-3-1-2-7(15)16/h6H,1-5,12H2,(H,13,21)(H,15,16)(H,17,18)(H,19,20)