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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/dinto_DB04003
http://purl.obolibrary.org/obo/dinto_DB04003
|
|---|---|
| Preferred Name | (4-{2-acetylamino-2-[1-(3-carbamoyl-4-cyclohexylmethoxy-phenyl)-ethylcarbamoyl}-ethyl}-2-phosphono-phenoxy)-acetic acid |
| Synonyms |
2-{4-[(2R)-2-{[(1S)-1-[3-carbamoyl-4-(cyclohexylmethoxy)phenyl]ethyl]carbamoyl}-2-acetamidoethyl]-2-phosphonophenoxy}acetic acid
C29H38N3O10P
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | (4-{2-acetylamino-2-[1-(3-carbamoyl-4-cyclohexylmethoxy-phenyl)-ethylcarbamoyl}-ethyl}-2-phosphono-phenoxy)-acetic acid
|
|---|---|
| label | (4-{2-acetylamino-2-[1-(3-carbamoyl-4-cyclohexylmethoxy-phenyl)-ethylcarbamoyl}-ethyl}-2-phosphono-phenoxy)-acetic acid
|
| type | |
| InChIKey | InChIKey=FXUGQWABROMTDA-GAJHUEQPSA-N
|
| Synonym | 2-{4-[(2R)-2-{[(1S)-1-[3-carbamoyl-4-(cyclohexylmethoxy)phenyl]ethyl]carbamoyl}-2-acetamidoethyl]-2-phosphonophenoxy}acetic acid
C29H38N3O10P
|
| xref |
PDB:CC0
PubChem Compound:46936859
PubChem Substance:46509016
|
| prefixIRI | obo2:dinto_DB04003
|
| related with | |
| SMILES | C[C@H](NC(=O)[C@@H](CC1=CC=C(OCC(O)=O)C(=C1)P(O)(O)=O)NC(C)=O)C1=CC=C(OCC2CCCCC2)C(=C1)C(N)=O
|
| InChI | InChI=1S/C29H38N3O10P/c1-17(21-9-11-24(22(14-21)28(30)36)41-15-19-6-4-3-5-7-19)31-29(37)23(32-18(2)33)12-20-8-10-25(42-16-27(34)35)26(13-20)43(38,39)40/h8-11,13-14,17,19,23H,3-7,12,15-16H2,1-2H3,(H2,30,36)(H,31,37)(H,32,33)(H,34,35)(H2,38,39,40)/t17-,23+/m0/s1
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| subClassOf |
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