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CHEBI:40024 - (4-{4-[(TERT-BUTOXYCARBONYL)AMINO]-2,2-BIS(ETHOXYCARBONYL)BUTYL}PHENYL)SULFAMIC ACID

Default Structure
ChEBI IDCHEBI:40024
ChEBI Name(4-{4-[(TERT-BUTOXYCARBONYL)AMINO]-2,2-BIS(ETHOXYCARBONYL)BUTYL}PHENYL)SULFAMIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC21H32N2O9S
Net Charge0
Average Mass488.559
Monoisotopic Mass488.18285
SMILES[H]OS(=O)(=O)N([H])c1c([H])c([H])c(C([H])([H])C(C(=O)OC([H])([H])C([H])([H])[H])(C(=O)OC([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])N([H])C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])c([H])c1[H]
InChIInChI=1S/C21H32N2O9S/c1-6-30-17(24)21(18(25)31-7-2,12-13-22-19(26)32-20(3,4)5)14-15-8-10-16(11-9-15)23-33(27,28)29/h8-11,23H,6-7,12-14H2,1-5H3,(H,22,26)(H,27,28,29)
InChIKeyVHLMZWXTBDMYOE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(4-{4-[(TERT-BUTOXYCARBONYL)AMINO]-2,2-BIS(ETHOXYCARBONYL)BUTYL}PHENYL)SULFAMIC ACID (CHEBI:40024) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(4-{4-[(tert-butoxycarbonyl)amino]-2,2-bis(ethoxycarbonyl)butyl}phenyl)sulfamic acidPDBeChem
(4-{4-[(TERT-BUTOXYCARBONYL)AMINO]-2,2-BIS(ETHOXYCARBONYL)BUTYL}PHENYL)SULFAMIC ACIDPDBeChem
Manual XrefsDatabases
3UNPDBeChem