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CHEBI:42065 - ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDE

Default Structure
ChEBI IDCHEBI:42065
ChEBI NameADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC31H45N3O3S
Net Charge0
Average Mass539.786
Monoisotopic Mass539.31816
SMILES[H]c1c([H])c(S(=O)(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)[C@]23C([H])([H])[C@@]4([H])C([H])([H])[C@]([H])(C([H])([H])[C@]([H])(C4([H])[H])C2([H])[H])C3([H])[H])c2c([H])c([H])c([H])c(N(C([H])([H])[H])C([H])([H])[H])c2c1[H]
InChIInChI=1S/C31H45N3O3S/c1-34(2)28-13-9-12-27-26(28)11-10-14-29(27)38(36,37)33-16-8-6-4-3-5-7-15-32-30(35)31-20-23-17-24(21-31)19-25(18-23)22-31/h9-14,23-25,33H,3-8,15-22H2,1-2H3,(H,32,35)/t23-,24+,25-,31-
InChIKeyFZFMMSSQQXCBGM-HTNXFJBJSA-N
ChEBI Ontology
Outgoing Relation(s)
ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDE (CHEBI:42065) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(3S,5S,7S)-N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamidePDBeChem
ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDEPDBeChem
Manual XrefsDatabases
DSOPDBeChem