(2S)-2-[(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)carbonylamino]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O5S/c1-8(12(17)18)14-11(16)10-6-9(7-13-10)21(19,20)15-4-2-3-5-15/h6-8,13H,2-5H2,1H3,(H,14,16)(H,17,18)/t8-/m0/s1