sodium [2,5-bis(oxidanylidene)-3-sulfenato-pyrrolidin-1-yl] 6-[3-(pyridin-2-yldisulfanyl)propanoylamino]hexanoate

Systemtic Name: sodium [2,5-bis(oxidanylidene)-3-sulfenato-pyrrolidin-1-yl] 6-[3-(pyridin-2-yldisulfanyl)propanoylamino]hexanoate Openeye Name: sodium (2,5-dioxo-3-sulfenato-pyrrolidin-1-yl) 6-[3-(2-pyridyldisulfanyl)propanoylamino]hexanoate CAS Name: sodium 2,5-dioxo-1-[1-oxo-6-[[1-oxo-3-(2-pyridinyldisulfanyl)propyl]amino]hexoxy]-3-pyrrolidinesulfenate IUPAC Name: sodium (2,5-dioxo-3-sulfenatopyrrolidin-1-yl) 6-[3-(pyridin-2-yldisulfanyl)propanoylamino]hexanoate Traditional Name: sodium 6-[3-(2-pyridyldisulfanyl)propanoylamino]hexanoic acid (2,5-diketo-3-sulfenato-pyrrolidino) ester Formula: C18H22N3NaO6S3 MolecularWeight: 495.56855

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)OC(=O)CCCCCNC(=O)CCSSC2=CC=CC=N2)S[O-].[Na+]

Isomeric SMILES

C1C(C(=O)N(C1=O)OC(=O)CCCCCNC(=O)CCSSC2=CC=CC=N2)S[O-].[Na+]

InChI

InChI=1S/C18H23N3O6S3.Na/c22-14(8-11-28-30-15-6-3-5-10-20-15)19-9-4-1-2-7-17(24)27-21-16(23)12-13(29-26)18(21)25;/h3,5-6,10,13,26H,1-2,4,7-9,11-12H2,(H,19,22);/q;+1/p-1