4-oxidanylidene-4-[pyridin-2-ylmethyl(2-pyrrolidin-1-ylsulfonylethyl)amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[pyridin-2-ylmethyl(2-pyrrolidin-1-ylsulfonylethyl)amino]butanoic acid Openeye Name: 4-oxo-4-[2-pyridylmethyl(2-pyrrolidin-1-ylsulfonylethyl)amino]butanoic acid CAS Name: 4-oxo-4-[2-pyridinylmethyl-[2-(1-pyrrolidinylsulfonyl)ethyl]amino]butanoic acid IUPAC Name: 4-oxo-4-[pyridin-2-ylmethyl(2-pyrrolidin-1-ylsulfonylethyl)amino]butanoic acid Traditional Name: 4-keto-4-[2-pyridylmethyl(2-pyrrolidinosulfonylethyl)amino]butyric acid Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)CCN(CC2=CC=CC=N2)C(=O)CCC(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)CCN(CC2=CC=CC=N2)C(=O)CCC(=O)O

InChI

InChI=1S/C16H23N3O5S/c20-15(6-7-16(21)22)18(13-14-5-1-2-8-17-14)11-12-25(23,24)19-9-3-4-10-19/h1-2,5,8H,3-4,6-7,9-13H2,(H,21,22)