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

Systemtic Name: 2-methyl-2-[3-[[3-[(2-methyl-1-sulfo-propan-2-yl)amino]-3-oxidanylidene-propyl]-oxidanyl-amino]propanoylamino]propane-1-sulfonic acid Openeye Name: 2-[3-[[3-[(1,1-dimethyl-2-sulfo-ethyl)amino]-3-oxo-propyl]-hydroxy-amino]propanoylamino]-2-methyl-propane-1-sulfonic acid CAS Name: 2-[[3-[hydroxy-[3-[(2-methyl-1-sulfopropan-2-yl)amino]-3-oxopropyl]amino]-1-oxopropyl]amino]-2-methyl-1-propanesulfonic acid IUPAC Name: 2-[3-[hydroxy-[3-[(2-methyl-1-sulfopropan-2-yl)amino]-3-oxopropyl]amino]propanoylamino]-2-methylpropane-1-sulfonic acid Traditional Name: 2-[3-[[3-[(1,1-dimethyl-2-sulfo-ethyl)amino]-3-keto-propyl]-hydroxy-amino]propanoylamino]-2-methyl-propane-1-sulfonic acid Formula: C14H29N3O9S2 MolecularWeight: 447.52476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS(=O)(=O)O)NC(=O)CCN(CCC(=O)NC(C)(C)CS(=O)(=O)O)O

Isomeric SMILES

CC(C)(CS(=O)(=O)O)NC(=O)CCN(CCC(=O)NC(C)(C)CS(=O)(=O)O)O

InChI

InChI=1S/C14H29N3O9S2/c1-13(2,9-27(21,22)23)15-11(18)5-7-17(20)8-6-12(19)16-14(3,4)10-28(24,25)26/h20H,5-10H2,1-4H3,(H,15,18)(H,16,19)(H,21,22,23)(H,24,25,26)