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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/dinto_DB04547
http://purl.obolibrary.org/obo/dinto_DB04547
|
|---|---|
| Preferred Name | inhibitor bea409 |
| Synonyms |
(2S,3R,4R,5S)-3,4-dihydroxy-N,N'-bis[(1R)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis({[4-(thiophen-3-yl)phenyl]methoxy})hexanediamide
C40H50N4O8S2
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | inhibitor bea409
|
|---|---|
| label | inhibitor bea409
|
| type | |
| InChIKey | InChIKey=AJZAPEZJWWQJHC-WVACUTTGSA-N
|
| Synonym | (2S,3R,4R,5S)-3,4-dihydroxy-N,N'-bis[(1R)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis({[4-(thiophen-3-yl)phenyl]methoxy})hexanediamide
C40H50N4O8S2
|
| xref |
PDB:BEE
BindingDB:848
PubChem Compound:46937006
PubChem Substance:46507806
|
| prefixIRI | obo2:dinto_DB04547
|
| related with | |
| SMILES | CNC(=O)[C@H](NC(=O)[C@@H](OCC1=CC=C(C=C1)C1=CSC=C1)[C@H](O)[C@@H](O)[C@H](OCC1=CC=C(C=C1)C1=CSC=C1)C(=O)N[C@H](C(C)C)C(=O)NC)C(C)C
|
| InChI | InChI=1S/C40H50N4O8S2/c1-23(2)31(37(47)41-5)43-39(49)35(51-19-25-7-11-27(12-8-25)29-15-17-53-21-29)33(45)34(46)36(40(50)44-32(24(3)4)38(48)42-6)52-20-26-9-13-28(14-10-26)30-16-18-54-22-30/h7-18,21-24,31-36,45-46H,19-20H2,1-6H3,(H,41,47)(H,42,48)(H,43,49)(H,44,50)/t31-,32-,33-,34-,35+,36+/m1/s1
|
| subClassOf |
| Delete | Subject | Author | Type | Created |
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| No notes to display |