Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L87IZC
|
|||
| Ligand Name |
3-[3-(3(S)-Methylcarbamoyl-7-sulfoamino-3,4,-dihydro-1H-isoquinolin-2-YL)-3-oxo-propyl]-benzoic acid
|
|||
| Synonyms |
3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-3-OXO-PROPYL]-BENZOIC ACID; UN7; CHEMBL205997; SCHEMBL6392856; BDBM13462; 2f71; Tetrahydroisoquinoline (TIQ) deriv. 10j; Q27466913; 3-{3-[(3S)-3-(methylcarbamoyl)-7-(sulfoamino)-1,2,3,4-tetrahydroisoquinolin-2-yl]-3-oxopropyl}benzoic acid
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C21H23N3O7S
|
|||
| Canonical SMILES |
CNC(=O)C1CC2=C(CN1C(=O)CCC3=CC(=CC=C3)C(=O)O)C=C(C=C2)NS(=O)(=O)O
|
|||
| InChI |
1S/C21H23N3O7S/c1-22-20(26)18-11-14-6-7-17(23-32(29,30)31)10-16(14)12-24(18)19(25)8-5-13-3-2-4-15(9-13)21(27)28/h2-4,6-7,9-10,18,23H,5,8,11-12H2,1H3,(H,22,26)(H,27,28)(H,29,30,31)/t18-/m0/s1
|
|||
| InChIKey |
AQIMGTQPGXDDPP-SFHVURJKSA-N
|
|||
| PubChem Compound ID | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.