Type: | Other |
PubChem: | 107891 |
DrugBank: | None |
IUPAC: | acetic acid [(2S,3S)-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester |
Standard InChI: | InChI=1S/C21H24N2O4S/c1-14(24)27-19-20(15-8-10-16(26-3)11-9-15)28-18-7-5-4-6-17(18)23(21(19)25)13-12-22-2/h4-11,19-20,22H,12-13H2,1-3H3/t19-,20+/m1/s1 |
Standard InChIKey: | YOMLDISQSWWYOT-UXHICEINSA-N |
SMILES: | CNCCN1C(=O)C(OC(C)=O)C(C2=CC=C(OC)C=C2)SC2=CC=CC=C21 |
Metabolism-related information: | No data |
Reference: | No data |
Chemical Structure | Metablite's name | Reaction name | Genus | Species | Reference |
---|---|---|---|---|---|
1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-5-(2-(methylamino)ethyl)-, (2S,3S)- | Deacylation | Gut microbiota | Gut microbiota | 10.1038/s41586-019-1291-3 |