4-oxidanylidene-4-[pyridin-3-ylmethyl(2-pyrrolidin-1-ylsulfonylethyl)amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[pyridin-3-ylmethyl(2-pyrrolidin-1-ylsulfonylethyl)amino]butanoic acid Openeye Name: 4-oxo-4-[3-pyridylmethyl(2-pyrrolidin-1-ylsulfonylethyl)amino]butanoic acid CAS Name: 4-oxo-4-[3-pyridinylmethyl-[2-(1-pyrrolidinylsulfonyl)ethyl]amino]butanoic acid IUPAC Name: 4-oxo-4-[pyridin-3-ylmethyl(2-pyrrolidin-1-ylsulfonylethyl)amino]butanoic acid Traditional Name: 4-keto-4-[3-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=CN=CC=C2)C(=O)CCC(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)CCN(CC2=CN=CC=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C16H23N3O5S/c20-15(5-6-16(21)22)18(13-14-4-3-7-17-12-14)10-11-25(23,24)19-8-1-2-9-19/h3-4,7,12H,1-2,5-6,8-11,13H2,(H,21,22)