2-[methyl-[(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)carbonyl]amino]ethanoic acid

Systemtic Name: 2-[methyl-[(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)carbonyl]amino]ethanoic acid Openeye Name: 2-[methyl-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carbonyl)amino]acetic acid CAS Name: 2-[methyl-[oxo-[4-(1-pyrrolidinylsulfonyl)-1H-pyrrol-2-yl]methyl]amino]acetic acid IUPAC Name: 2-[methyl-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carbonyl)amino]acetic acid Traditional Name: 2-[methyl-(4-pyrrolidinosulfonyl-1H-pyrrole-2-carbonyl)amino]acetic acid Formula: C12H17N3O5S MolecularWeight: 315.34548

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=O)C1=CC(=CN1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CN(CC(=O)O)C(=O)C1=CC(=CN1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C12H17N3O5S/c1-14(8-11(16)17)12(18)10-6-9(7-13-10)21(19,20)15-4-2-3-5-15/h6-7,13H,2-5,8H2,1H3,(H,16,17)