ditert-butyl (2S)-2-[(1-oxidanidylpyridin-1-ium-4-yl)sulfanylcarbonylamino]pentanedioate

Systemtic Name: ditert-butyl (2S)-2-[(1-oxidanidylpyridin-1-ium-4-yl)sulfanylcarbonylamino]pentanedioate Openeye Name: ditert-butyl (2S)-2-[(1-oxidopyridin-1-ium-4-yl)sulfanylcarbonylamino]pentanedioate CAS Name: (2S)-2-[[[(1-oxido-4-pyridin-1-iumyl)thio]-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[(1-oxidopyridin-1-ium-4-yl)sulfanylcarbonylamino]pentanedioate Traditional Name: (2S)-2-[[(1-oxidopyridin-1-ium-4-yl)thio]carbonylamino]glutaric acid ditert-butyl ester Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)SC1=CC=[N+](C=C1)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)SC1=CC=[N+](C=C1)[O-]

InChI

InChI=1S/C19H28N2O6S/c1-18(2,3)26-15(22)8-7-14(16(23)27-19(4,5)6)20-17(24)28-13-9-11-21(25)12-10-13/h9-12,14H,7-8H2,1-6H3,(H,20,24)/t14-/m0/s1