2-azanyl-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(1-ethanoylsulfanyl-3,3-dimethoxy-propyl)-4-oxidanylidene-heptanoic acid

Systemtic Name: 2-azanyl-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(1-ethanoylsulfanyl-3,3-dimethoxy-propyl)-4-oxidanylidene-heptanoic acid Openeye Name: 3-(1-acetylsulfanyl-3,3-dimethoxy-propyl)-2-amino-2-(1,3-dioxoisoindolin-2-yl)-4-oxo-heptanoic acid CAS Name: 3-[1-(acetylthio)-3,3-dimethoxypropyl]-2-amino-2-(1,3-dioxo-2-isoindolyl)-4-oxoheptanoic acid IUPAC Name: 3-(1-acetylsulfanyl-3,3-dimethoxypropyl)-2-amino-2-(1,3-dioxoisoindol-2-yl)-4-oxoheptanoic acid Traditional Name: 3-[1-(acetylthio)-3,3-dimethoxy-propyl]-2-amino-4-keto-2-phthalimido-enanthic acid Formula: C22H28N2O8S MolecularWeight: 480.53132

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C(CC(OC)OC)SC(=O)C)C(C(=O)O)(N)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCCC(=O)C(C(CC(OC)OC)SC(=O)C)C(C(=O)O)(N)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C22H28N2O8S/c1-5-8-15(26)18(16(33-12(2)25)11-17(31-3)32-4)22(23,21(29)30)24-19(27)13-9-6-7-10-14(13)20(24)28/h6-7,9-10,16-18H,5,8,11,23H2,1-4H3,(H,29,30)