(3R)-3-[(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)carbonylamino]butanoate

Systemtic Name: (3R)-3-[(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)carbonylamino]butanoate Openeye Name: (3R)-3-[(4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carbonyl)amino]butanoate CAS Name: (3R)-3-[[oxo-[4-(1-pyrrolidinylsulfonyl)-1H-pyrrol-2-yl]methyl]amino]butanoate IUPAC Name: (3R)-3-[(4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carbonyl)amino]butanoate Traditional Name: (3R)-3-[(4-pyrrolidinosulfonyl-1H-pyrrole-2-carbonyl)amino]butyrate Formula: C13H18N3O5S- MolecularWeight: 328.36412

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)[O-])NC(=O)C1=CC(=CN1)S(=O)(=O)N2CCCC2

Isomeric SMILES

C[C@H](CC(=O)[O-])NC(=O)C1=CC(=CN1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C13H19N3O5S/c1-9(6-12(17)18)15-13(19)11-7-10(8-14-11)22(20,21)16-4-2-3-5-16/h7-9,14H,2-6H2,1H3,(H,15,19)(H,17,18)/p-1/t9-/m1/s1