(2S)-2-[(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrol-2-yl)carbonylamino]propanoate

Systemtic Name: (2S)-2-[(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrol-2-yl)carbonylamino]propanoate Openeye Name: (2S)-2-[(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carbonyl)amino]propanoate CAS Name: (2S)-2-[[[1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolyl]-oxomethyl]amino]propanoate IUPAC Name: (2S)-2-[(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)amino]propanoate Traditional Name: (2S)-2-[(1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carbonyl)amino]propionate Formula: C13H18N3O5S- MolecularWeight: 328.36412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)C1=CC(=CN1C)S(=O)(=O)N2CCCC2

Isomeric SMILES

C[C@@H](C(=O)[O-])NC(=O)C1=CC(=CN1C)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C13H19N3O5S/c1-9(13(18)19)14-12(17)11-7-10(8-15(11)2)22(20,21)16-5-3-4-6-16/h7-9H,3-6H2,1-2H3,(H,14,17)(H,18,19)/p-1/t9-/m0/s1