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CHEBI:39627 - 3-({[5-(2-piperidin-4-ylethyl)thieno[2,3-b]thiophen-2-yl]carbonyl}amino)-N-(pyridin-3-ylsulfonyl)-D-alanine

ChEBI IDCHEBI:39627
ChEBI Name3-({[5-(2-piperidin-4-ylethyl)thieno[2,3-b]thiophen-2-yl]carbonyl}amino)-N-(pyridin-3-ylsulfonyl)-D-alanine
Stars
ASCII Name3-({[5-(2-piperidin-4-ylethyl)thieno[2,3-b]thiophen-2-yl]carbonyl}amino)-N-(pyridin-3-ylsulfonyl)-D-alanine
Last Modified28 November 2014
DownloadsMolfile
FormulaC22H26N4O5S3
Net Charge0
Average Mass522.674
Monoisotopic Mass522.10653
SMILES[H]OC(=O)[C@]([H])(N([H])S(=O)(=O)c1c([H])nc([H])c([H])c1[H])C([H])([H])N([H])C(=O)c1sc2sc(C([H])([H])C([H])([H])C3([H])C([H])([H])C([H])([H])N([H])C([H])([H])C3([H])[H])c([H])c2c1[H]
InChIInChI=1S/C22H26N4O5S3/c27-20(25-13-18(21(28)29)26-34(30,31)17-2-1-7-24-12-17)19-11-15-10-16(32-22(15)33-19)4-3-14-5-8-23-9-6-14/h1-2,7,10-12,14,18,23,26H,3-6,8-9,13H2,(H,25,27)(H,28,29)/t18-/m1/s1
InChIKeyQDIFCBMBPLLNGR-GOSISDBHSA-N
ChEBI Ontology
Outgoing Relation(s)
3-({[5-(2-piperidin-4-ylethyl)thieno[2,3-b]thiophen-2-yl]carbonyl}amino)-N-(pyridin-3-ylsulfonyl)-D-alanine (CHEBI:39627) is a D-alanine derivative (CHEBI:83944)
3-({[5-(2-piperidin-4-ylethyl)thieno[2,3-b]thiophen-2-yl]carbonyl}amino)-N-(pyridin-3-ylsulfonyl)-D-alanine (CHEBI:39627) is a monocarboxylic acid amide (CHEBI:29347)
3-({[5-(2-piperidin-4-ylethyl)thieno[2,3-b]thiophen-2-yl]carbonyl}amino)-N-(pyridin-3-ylsulfonyl)-D-alanine (CHEBI:39627) is a piperidines (CHEBI:26151)
3-({[5-(2-piperidin-4-ylethyl)thieno[2,3-b]thiophen-2-yl]carbonyl}amino)-N-(pyridin-3-ylsulfonyl)-D-alanine (CHEBI:39627) is a pyridinesulfonamide (CHEBI:48100)
3-({[5-(2-piperidin-4-ylethyl)thieno[2,3-b]thiophen-2-yl]carbonyl}amino)-N-(pyridin-3-ylsulfonyl)-D-alanine (CHEBI:39627) is a thienothiophene (CHEBI:48653)
Synonyms  Source
2-(S)-[N-(3-PYRIDYLSULFONYL)AMINO]-3-[[2-CARBONYL-5-[2-(PIPERIDIN-4-YL)ETHYL]-THIENO[2,3-B]THIOPHENEYL]AMINO]-PROPIONIC ACIDPDBeChem
3-({[5-(2-piperidin-4-ylethyl)thieno[2,3-b]thiophen-2-yl]carbonyl}amino)-N-(pyridin-3-ylsulfonyl)-D-alaninePDBeChem
Manual XrefsDatabases
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