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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/dinto_DB06993
http://purl.obolibrary.org/obo/dinto_DB06993
|
|---|---|
| Preferred Name | (2s,3s)-4-cyclopropyl-3-{(3r,5r)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3s)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine |
| Synonyms |
(2S,3S)-2-amino-4-cyclopropyl-3-[(3R,5R)-3-(2-fluoro-4-methanesulfonylphenyl)-1,2,4-oxadiazolidin-5-yl]-1-[(3S)-3-fluoropyrrolidin-1-yl]butan-1-one
C20H28F2N4O4S
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | (2s,3s)-4-cyclopropyl-3-{(3r,5r)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3s)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine
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|---|---|
| label | (2s,3s)-4-cyclopropyl-3-{(3r,5r)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3s)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine
|
| type | |
| InChIKey | InChIKey=PTAHVQJZNFGPHN-MQPLHJKPSA-N
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| Synonym | (2S,3S)-2-amino-4-cyclopropyl-3-[(3R,5R)-3-(2-fluoro-4-methanesulfonylphenyl)-1,2,4-oxadiazolidin-5-yl]-1-[(3S)-3-fluoropyrrolidin-1-yl]butan-1-one
C20H28F2N4O4S
|
| xref |
PDB:315
PubChem Substance:99443464
PubChem Compound:46937042
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| prefixIRI | obo2:dinto_DB06993
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| related with | |
| SMILES | [H][C@@](N)(C(=O)N1CC[C@]([H])(F)C1)[C@]([H])(CC1CC1)[C@]1([H])N[C@]([H])(NO1)C1=CC=C(C=C1F)S(C)(=O)=O
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| InChI | InChI=1S/C20H28F2N4O4S/c1-31(28,29)13-4-5-14(16(22)9-13)18-24-19(30-25-18)15(8-11-2-3-11)17(23)20(27)26-7-6-12(21)10-26/h4-5,9,11-12,15,17-19,24-25H,2-3,6-8,10,23H2,1H3/t12-,15-,17-,18+,19+/m0/s1
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| subClassOf |
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