Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L0A6DL
|
|||
| Ligand Name |
1-Piperazinecarboxylic acid, 4-cycloheptyl-, (2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-2-((1E,3E,5R)-5-hydroxy-6-((2R,3R)-3-((1R,2S)-2-hydroxy-1-methylbutyl)oxiranyl)-1,5-dimethyl-1,3-hexadienyl)-3,7-dimethyl-12-oxooxacyclododec-4-en-6-yl ester
|
|||
| Synonyms |
E7107; UNII-R60DZX1E2N; 630100-90-2; R60DZX1E2N; (3R,6R,7S,8E,10S,11S,12E,14E,16R,18R,19R,20R,21S)-7-[(4-cycloheptylpiperazin-1-yl)carbonyl]oxy-3,6,16,21-tetrahydroxy-6,10,12,16,20-pentamethyl-18,19-epoyxtrichosa-8,12,14-trien-11-olide; [(2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-2-[(2E,4E,6R)-6-hydroxy-7-[(2R,3R)-3-[(2R,3S)-3-hydroxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-cycloheptylpiperazine-1-carboxylate; 1-Piperazinecarboxylic acid, 4-cycloheptyl-, (2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-2-((1E,3E,5R)-5-hydroxy-6-((2R,3R)-3-((1R,2S)-2-hydroxy-1-methylbutyl)oxiranyl)-1,5-dimethyl-1,3-hexadienyl)-3,7-dimethyl-12-oxooxacyclododec-4-en-6-yl ester; E 7107; SCHEMBL3624011; CHEMBL4297278; BDBM36359; EX-A6354; DB12508; CID16202132; Q27287836; 1-PIPERAZINECARBOXYLIC ACID, 4-CYCLOHEPTYL-, (2S,3S,4E,6S,7R,10R)-7,10-DIHYDROXY-2-((1E,3E,5R)-5-HYDROXY-6-((2R,3R)-3-((1R,2S)-2-HYDROXY-1-METHYLBUTYL)-2-OXIRANYL)-1,5-DIMETHYL-1,3-HEXADIEN-1-YL)-3,7-DIMETHYL-12-OXOOXACYCLODODEC-4-EN-6-YL ESTER
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C40H66N2O9
|
|||
| Canonical SMILES |
CCC(C(C)C1C(O1)CC(C)(C=CC=C(C)C2C(C=CC(C(CCC(CC(=O)O2)O)(C)O)OC(=O)N3CCN(CC3)C4CCCCCC4)C)O)O
|
|||
| InChI |
1S/C40H66N2O9/c1-7-32(44)29(4)37-33(49-37)26-39(5,47)19-12-13-27(2)36-28(3)16-17-34(40(6,48)20-18-31(43)25-35(45)51-36)50-38(46)42-23-21-41(22-24-42)30-14-10-8-9-11-15-30/h12-13,16-17,19,28-34,36-37,43-44,47-48H,7-11,14-15,18,20-26H2,1-6H3/b17-16+,19-12+,27-13+/t28-,29+,31+,32-,33+,34-,36+,37+,39-,40+/m0/s1
|
|||
| InChIKey |
MNOMBFWMICHMKG-MGYWSNOQSA-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.