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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/dinto_DB04042
http://purl.obolibrary.org/obo/dinto_DB04042
|
|---|---|
| Preferred Name | 2-[4-(hydroxy-methoxy-methyl)-benzyl]-7-(4-hydroxymethyl-benzyl)-1,1-dioxo-3,6-bis-phenoxymethyl-1lambda6-[1,2,7]thiadiazepane-4,5-diol |
| Synonyms |
C35H40N2O9S
(3R,4R,5R,6S)-4,5-dihydroxy-2-({4-[(S)-hydroxy(methoxy)methyl]phenyl}methyl)-7-{[4-(hydroxymethyl)phenyl]methyl}-3,6-bis(phenoxymethyl)-1$l^{6},2,7-thiadiazepane-1,1-dione
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | 2-[4-(hydroxy-methoxy-methyl)-benzyl]-7-(4-hydroxymethyl-benzyl)-1,1-dioxo-3,6-bis-phenoxymethyl-1lambda6-[1,2,7]thiadiazepane-4,5-diol
|
|---|---|
| label | 2-[4-(hydroxy-methoxy-methyl)-benzyl]-7-(4-hydroxymethyl-benzyl)-1,1-dioxo-3,6-bis-phenoxymethyl-1lambda6-[1,2,7]thiadiazepane-4,5-diol
|
| type | |
| InChIKey | InChIKey=XLJNZONSWKENRP-DEVDXAACSA-N
|
| Synonym | C35H40N2O9S
(3R,4R,5R,6S)-4,5-dihydroxy-2-({4-[(S)-hydroxy(methoxy)methyl]phenyl}methyl)-7-{[4-(hydroxymethyl)phenyl]methyl}-3,6-bis(phenoxymethyl)-1$l^{6},2,7-thiadiazepane-1,1-dione
|
| xref |
PubChem Substance:46505466
PubChem Compound:46936870
PDB:AHF
|
| prefixIRI | obo2:dinto_DB04042
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| related with | |
| SMILES | CO[C@H](O)C1=CC=C(CN2[C@H](COC3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H](COC3=CC=CC=C3)N(CC3=CC=C(CO)C=C3)S2(=O)=O)C=C1
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| InChI | InChI=1S/C35H40N2O9S/c1-44-35(41)28-18-16-26(17-19-28)21-37-32(24-46-30-10-6-3-7-11-30)34(40)33(39)31(23-45-29-8-4-2-5-9-29)36(47(37,42)43)20-25-12-14-27(22-38)15-13-25/h2-19,31-35,38-41H,20-24H2,1H3/t31-,32+,33+,34+,35-/m0/s1
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| subClassOf |
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