3-methyl-2-[(4-pyrrolidin-1-ylsulfonylthiophen-2-yl)carbonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[(4-pyrrolidin-1-ylsulfonylthiophen-2-yl)carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[(4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid CAS Name: 3-methyl-2-[[oxo-[4-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid Traditional Name: 3-methyl-2-[(4-pyrrolidinosulfonylthiophene-2-carbonyl)amino]butyric acid Formula: C14H20N2O5S2 MolecularWeight: 360.449

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC(=CS1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=CC(=CS1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C14H20N2O5S2/c1-9(2)12(14(18)19)15-13(17)11-7-10(8-22-11)23(20,21)16-5-3-4-6-16/h7-9,12H,3-6H2,1-2H3,(H,15,17)(H,18,19)