2,5-bis(oxidanylidene)-1-[6-(3-pyridin-2-ylsulfanylpropanoylamino)hexanoyl]pyrrolidine-3-sulfonic acid

Systemtic Name: 2,5-bis(oxidanylidene)-1-[6-(3-pyridin-2-ylsulfanylpropanoylamino)hexanoyl]pyrrolidine-3-sulfonic acid Openeye Name: 2,5-dioxo-1-[6-[3-(2-pyridylsulfanyl)propanoylamino]hexanoyl]pyrrolidine-3-sulfonic acid CAS Name: 2,5-dioxo-1-[1-oxo-6-[[1-oxo-3-(2-pyridinylthio)propyl]amino]hexyl]-3-pyrrolidinesulfonic acid IUPAC Name: 2,5-dioxo-1-[6-(3-pyridin-2-ylsulfanylpropanoylamino)hexanoyl]pyrrolidine-3-sulfonic acid Traditional Name: 2,5-diketo-1-[6-[3-(2-pyridylthio)propanoylamino]hexanoyl]pyrrolidine-3-sulfonic acid Formula: C18H23N3O7S2 MolecularWeight: 457.52112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C(=O)CCCCCNC(=O)CCSC2=CC=CC=N2)S(=O)(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)C(=O)CCCCCNC(=O)CCSC2=CC=CC=N2)S(=O)(=O)O

InChI

InChI=1S/C18H23N3O7S2/c22-14(8-11-29-15-6-3-5-10-20-15)19-9-4-1-2-7-16(23)21-17(24)12-13(18(21)25)30(26,27)28/h3,5-6,10,13H,1-2,4,7-9,11-12H2,(H,19,22)(H,26,27,28)