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CHEBI:41869 - ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-BUTYL-AMIDE

Default Structure
ChEBI IDCHEBI:41869
ChEBI NameADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-BUTYL-AMIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC27H37N3O3S
Net Charge0
Average Mass483.678
Monoisotopic Mass483.25556
SMILES[H]c1c([H])c(S(=O)(=O)N([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/C27H37N3O3S/c1-30(2)24-9-5-8-23-22(24)7-6-10-25(23)34(32,33)29-12-4-3-11-28-26(31)27-16-19-13-20(17-27)15-21(14-19)18-27/h5-10,19-21,29H,3-4,11-18H2,1-2H3,(H,28,31)/t19-,20+,21-,27-
InChIKeyRCSLIFYNVZXHOC-PHWDIDRRSA-N
ChEBI Ontology
Outgoing Relation(s)
ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-BUTYL-AMIDE (CHEBI:41869) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(3S,5S,7S)-N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamidePDBeChem
ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-BUTYL-AMIDEPDBeChem
Manual XrefsDatabases
DBRPDBeChem