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CHEBI:40301 - 2-METHANESULFONYL-BENZENESULFONIC ACID 3-METHYL-5-((1-AMIDINOAMINOOXYMETHYL-CYCLOPROPYL)METHYLOXY)-PHENYLESTER

Default Structure
ChEBI IDCHEBI:40301
ChEBI Name2-METHANESULFONYL-BENZENESULFONIC ACID 3-METHYL-5-((1-AMIDINOAMINOOXYMETHYL-CYCLOPROPYL)METHYLOXY)-PHENYLESTER
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC20H25N3O7S2
Net Charge0
Average Mass483.568
Monoisotopic Mass483.11339
SMILES[H]/N=C(\N([H])[H])N([H])OC([H])([H])C1(C([H])([H])Oc2c([H])c(OS(=O)(=O)c3c([H])c([H])c([H])c([H])c3S(=O)(=O)C([H])([H])[H])c([H])c(C([H])([H])[H])c2[H])C([H])([H])C1([H])[H]
InChIInChI=1S/C20H25N3O7S2/c1-14-9-15(28-12-20(7-8-20)13-29-23-19(21)22)11-16(10-14)30-32(26,27)18-6-4-3-5-17(18)31(2,24)25/h3-6,9-11H,7-8,12-13H2,1-2H3,(H4,21,22,23)
InChIKeyFXPLUZROHGTSCH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-METHANESULFONYL-BENZENESULFONIC ACID 3-METHYL-5-((1-AMIDINOAMINOOXYMETHYL-CYCLOPROPYL)METHYLOXY)-PHENYLESTER (CHEBI:40301) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-METHANESULFONYL-BENZENESULFONIC ACID 3-METHYL-5-((1-AMIDINOAMINOOXYMETHYL-CYCLOPROPYL)METHYLOXY)-PHENYLESTERPDBeChem
3-({1-[(carbamimidamidooxy)methyl]cyclopropyl}methoxy)-5-methylphenyl 2-(methylsulfonyl)benzenesulfonatePDBeChem
Manual XrefsDatabases
81APDBeChem