PDB CCD ID: | 180 | ||||||||||||
Number of entries in BioLiP: | 2 | ||||||||||||
Chemical formula: | C22 H26 N4 O5 S3 | ||||||||||||
InChI: | InChI=1S/C22H26N4O5S3/c27-20(25-13-18(21(28)29)26-34(30,31)17-2-1-7-24-12-17)19-11-15-10-16(32-22(15)33-19)4-3-14-5-8-23-9-6-14/h1-2,7,10-12,14,18,23,26H,3-6,8-9,13H2,(H,25,27)(H,28,29)/t18-/m1/s1 | ||||||||||||
InChIKey: | QDIFCBMBPLLNGR-GOSISDBHSA-N | ||||||||||||
SMILES: |
| ||||||||||||
Name: | 2-(S)-[N-(3-PYRIDYLSULFONYL)AMINO]-3-[[2-CARBONYL-5-[2-(PIPERIDIN-4-YL)ETHYL]-THIENO[2,3-B]THIOPHENEYL]AMINO]-PROPIONIC ACID; MERCK L739758 | ||||||||||||
ChEMBL: | CHEMBL1229688 | ||||||||||||
ZINC: | ZINC000013798416 |