2-methyl-2-[3-[[3-[(2-methyl-1-sulfo-propan-2-yl)amino]-3-oxidanylidene-propyl]-octyl-amino]propanoylamino]propane-1-sulfonic acid

Systemtic Name: 2-methyl-2-[3-[[3-[(2-methyl-1-sulfo-propan-2-yl)amino]-3-oxidanylidene-propyl]-octyl-amino]propanoylamino]propane-1-sulfonic acid Openeye Name: 2-[3-[[3-[(1,1-dimethyl-2-sulfo-ethyl)amino]-3-oxo-propyl]-octyl-amino]propanoylamino]-2-methyl-propane-1-sulfonic acid CAS Name: 2-methyl-2-[[3-[[3-[(2-methyl-1-sulfopropan-2-yl)amino]-3-oxopropyl]-octylamino]-1-oxopropyl]amino]-1-propanesulfonic acid IUPAC Name: 2-methyl-2-[3-[[3-[(2-methyl-1-sulfopropan-2-yl)amino]-3-oxopropyl]-octylamino]propanoylamino]propane-1-sulfonic acid Traditional Name: 2-[3-[[3-[(1,1-dimethyl-2-sulfo-ethyl)amino]-3-keto-propyl]-octyl-amino]propanoylamino]-2-methyl-propane-1-sulfonic acid Formula: C22H45N3O8S2 MolecularWeight: 543.738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCC(=O)NC(C)(C)CS(=O)(=O)O)CCC(=O)NC(C)(C)CS(=O)(=O)O

Isomeric SMILES

CCCCCCCCN(CCC(=O)NC(C)(C)CS(=O)(=O)O)CCC(=O)NC(C)(C)CS(=O)(=O)O

InChI

InChI=1S/C22H45N3O8S2/c1-6-7-8-9-10-11-14-25(15-12-19(26)23-21(2,3)17-34(28,29)30)16-13-20(27)24-22(4,5)18-35(31,32)33/h6-18H2,1-5H3,(H,23,26)(H,24,27)(H,28,29,30)(H,31,32,33)