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CHEBI:40675 - (3R,4S,5S,6R)-2-{4-[(S)-hydroxy(methoxy)methyl]benzyl}-7-[4-(hydroxymethyl)benzyl]-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-4,5-diol 1,1-dioxide
| Formula | C35H40N2O9S |
| Net Charge | 0 |
| Average Mass | 664.777 |
| Monoisotopic Mass | 664.24545 |
| SMILES | [H]OC([H])([H])c1c([H])c([H])c(C([H])([H])N2[C@]([H])(C([H])([H])Oc3c([H])c([H])c([H])c([H])c3[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])Oc3c([H])c([H])c([H])c([H])c3[H])N(C([H])([H])c3c([H])c([H])c([C@@]([H])(O[H])OC([H])([H])[H])c([H])c3[H])S2(=O)=O)c([H])c1[H] |
| 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+/m1/s1 |
| InChIKey | XLJNZONSWKENRP-VABIIVNOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3R,4S,5S,6R)-2-{4-[(S)-hydroxy(methoxy)methyl]benzyl}-7-[4-(hydroxymethyl)benzyl]-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-4,5-diol 1,1-dioxide (CHEBI:40675) is a sulfuric amide (CHEBI:38038) |
| (3R,4S,5S,6R)-2-{4-[(S)-hydroxy(methoxy)methyl]benzyl}-7-[4-(hydroxymethyl)benzyl]-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-4,5-diol 1,1-dioxide (CHEBI:40675) is a sultam (CHEBI:46950) |
| (3R,4S,5S,6R)-2-{4-[(S)-hydroxy(methoxy)methyl]benzyl}-7-[4-(hydroxymethyl)benzyl]-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-4,5-diol 1,1-dioxide (CHEBI:40675) is a thiadiazepane (CHEBI:46949) |
| Synonyms | Source |
|---|---|
| 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 | PDBeChem |
| (3R,4S,5S,6R)-2-{4-[(S)-hydroxy(methoxy)methyl]benzyl}-7-[4-(hydroxymethyl)benzyl]-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-4,5-diol 1,1-dioxide | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| AHF | PDBeChem |