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

Systemtic Name: 2-azanyl-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(1-ethanoylsulfanyl-2,2-dimethoxy-ethyl)-4-oxidanylidene-heptanoic acid Openeye Name: 3-(1-acetylsulfanyl-2,2-dimethoxy-ethyl)-2-amino-2-(1,3-dioxoisoindolin-2-yl)-4-oxo-heptanoic acid CAS Name: 3-[1-(acetylthio)-2,2-dimethoxyethyl]-2-amino-2-(1,3-dioxo-2-isoindolyl)-4-oxoheptanoic acid IUPAC Name: 3-(1-acetylsulfanyl-2,2-dimethoxyethyl)-2-amino-2-(1,3-dioxoisoindol-2-yl)-4-oxoheptanoic acid Traditional Name: 3-[1-(acetylthio)-2,2-dimethoxy-ethyl]-2-amino-4-keto-2-phthalimido-enanthic acid Formula: C21H26N2O8S MolecularWeight: 466.50474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O8S/c1-5-8-14(25)15(16(32-11(2)24)19(30-3)31-4)21(22,20(28)29)23-17(26)12-9-6-7-10-13(12)18(23)27/h6-7,9-10,15-16,19H,5,8,22H2,1-4H3,(H,28,29)