2-[(2-ethoxycarbonyl-3,4-dihydro-2H-pyrrol-5-yl)amino]-3-methyl-3-sulfanyl-butanoic acid

Systemtic Name: 2-[(2-ethoxycarbonyl-3,4-dihydro-2H-pyrrol-5-yl)amino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-[(2-ethoxycarbonyl-3,4-dihydro-2H-pyrrol-5-yl)amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 2-[(2-ethoxycarbonyl-3,4-dihydro-2H-pyrrol-5-yl)amino]-3-mercapto-3-methylbutanoic acid IUPAC Name: 2-[(2-ethoxycarbonyl-3,4-dihydro-2H-pyrrol-5-yl)amino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: 2-[(5-carbethoxy-1-pyrrolin-2-yl)amino]-3-mercapto-3-methyl-butyric acid Formula: C12H20N2O4S MolecularWeight: 288.3632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(=N1)NC(C(=O)O)C(C)(C)S

Isomeric SMILES

CCOC(=O)C1CCC(=N1)NC(C(=O)O)C(C)(C)S

InChI

InChI=1S/C12H20N2O4S/c1-4-18-11(17)7-5-6-8(13-7)14-9(10(15)16)12(2,3)19/h7,9,19H,4-6H2,1-3H3,(H,13,14)(H,15,16)