ditert-butyl (2S)-2-[(3-methylimidazol-3-ium-1-yl)carbonylamino]pentanedioate; tris(fluoranyl)methanesulfonate

Systemtic Name: ditert-butyl (2S)-2-[(3-methylimidazol-3-ium-1-yl)carbonylamino]pentanedioate; tris(fluoranyl)methanesulfonate Openeye Name: ditert-butyl (2S)-2-[(3-methylimidazol-3-ium-1-carbonyl)amino]pentanedioate; trifluoromethanesulfonate CAS Name: (2S)-2-[[(3-methyl-1-imidazol-3-iumyl)-oxomethyl]amino]pentanedioic acid ditert-butyl ester; trifluoromethanesulfonate IUPAC Name: ditert-butyl (2S)-2-[(3-methylimidazol-3-ium-1-carbonyl)amino]pentanedioate; trifluoromethanesulfonate Traditional Name: (2S)-2-[(3-methylimidazol-3-ium-1-carbonyl)amino]glutaric acid ditert-butyl ester triflate Formula: C19H30F3N3O8S MolecularWeight: 517.51701

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)N1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)N1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C18H29N3O5.CHF3O3S/c1-17(2,3)25-14(22)9-8-13(15(23)26-18(4,5)6)19-16(24)21-11-10-20(7)12-21;2-1(3,4)8(5,6)7/h10-13H,8-9H2,1-7H3;(H,5,6,7)/t13-;/m0./s1