4-[(1-methylpyrazol-4-yl)methyl-(2-pyrrolidin-1-ylsulfonylethyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(1-methylpyrazol-4-yl)methyl-(2-pyrrolidin-1-ylsulfonylethyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(1-methylpyrazol-4-yl)methyl-(2-pyrrolidin-1-ylsulfonylethyl)amino]-4-oxo-butanoic acid CAS Name: 4-[(1-methyl-4-pyrazolyl)methyl-[2-(1-pyrrolidinylsulfonyl)ethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(1-methylpyrazol-4-yl)methyl-(2-pyrrolidin-1-ylsulfonylethyl)amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(1-methylpyrazol-4-yl)methyl-(2-pyrrolidinosulfonylethyl)amino]butyric acid Formula: C15H24N4O5S MolecularWeight: 372.43986

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN(CCS(=O)(=O)N2CCCC2)C(=O)CCC(=O)O

Isomeric SMILES

CN1C=C(C=N1)CN(CCS(=O)(=O)N2CCCC2)C(=O)CCC(=O)O

InChI

InChI=1S/C15H24N4O5S/c1-17-11-13(10-16-17)12-18(14(20)4-5-15(21)22)8-9-25(23,24)19-6-2-3-7-19/h10-11H,2-9,12H2,1H3,(H,21,22)