3-[[3-[[2-[(5-methylsulfonylthiophen-2-yl)carbonylamino]ethyldisulfanyl]methyl]phenyl]sulfonylamino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 3-[[3-[[2-[(5-methylsulfonylthiophen-2-yl)carbonylamino]ethyldisulfanyl]methyl]phenyl]sulfonylamino]-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[3-[[2-[(5-methylsulfonylthiophene-2-carbonyl)amino]ethyldisulfanyl]methyl]phenyl]sulfonylamino]-4-oxo-pentanoic acid CAS Name: 3-[[3-[[2-[[(5-methylsulfonyl-2-thiophenyl)-oxomethyl]amino]ethyldisulfanyl]methyl]phenyl]sulfonylamino]-4-oxopentanoic acid IUPAC Name: 3-[[3-[[2-[(5-methylsulfonylthiophene-2-carbonyl)amino]ethyldisulfanyl]methyl]phenyl]sulfonylamino]-4-oxopentanoic acid Traditional Name: 4-keto-3-[[3-[[2-[(5-mesylthiophene-2-carbonyl)amino]ethyldisulfanyl]methyl]phenyl]sulfonylamino]valeric acid Formula: C20H24N2O8S5 MolecularWeight: 580.73816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC(=O)O)NS(=O)(=O)C1=CC=CC(=C1)CSSCCNC(=O)C2=CC=C(S2)S(=O)(=O)C

Isomeric SMILES

CC(=O)C(CC(=O)O)NS(=O)(=O)C1=CC=CC(=C1)CSSCCNC(=O)C2=CC=C(S2)S(=O)(=O)C

InChI

InChI=1S/C20H24N2O8S5/c1-13(23)16(11-18(24)25)22-35(29,30)15-5-3-4-14(10-15)12-32-31-9-8-21-20(26)17-6-7-19(33-17)34(2,27)28/h3-7,10,16,22H,8-9,11-12H2,1-2H3,(H,21,26)(H,24,25)