| Properties | Image |
|---|
| MNX_ID | MNXM118902 |
 |
| reference | chebi:51484 |
| formula | C32H42F3N3O9S |
| global charge | 0 |
| mol weight | 701.761 |
| InChIKey | WEJVZSAYICGDCK-UHFFFAOYSA-N |
| InChI | InChI=1S/C26H27F3N2O9S.C6H15N/c1-25(2)13-15(14-41(36,37)38)16-10-17-18(26(27,28)29)11-24(35)39-20(17)12-19(16)30(25)9-5-3-4-6-23(34)40-31-21(32)7-8-22(31)33;1-4-7(5-2)6-3/h10-13H,3-9,14H2,1-2H3,(H,36,37,38);4-6H2,1-3H3 |
| SMILES | CC1(C)C=C(CS(=O)(=O)[O-])C2=C(C=C3OC(=O)C=C(C(F)(F)F)C3=C2)N1CCCCCC(=O)ON1C(=O)CCC1=O.CC[NH+](CC)CC |
MNX internals
| InChI (mnx) | InChI=1/C26H27F3N2O9S.C6H15N/c1-25(2)13-15(14-41(36,37)38)16-10-17-18(26(27,28)29)11-24(35)39-20(17)12-19(16)30(25)9-5-3-4-6-23(34)40-31-21(32)7-8-22(31)33;1-4-7(5-2)6-3/h10-13H,3-9,14H2,1-2H3,(H,36,37,38);4-6H2,1-3H3 |
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| SMILES (mnx) | [CH3:1][C:25]1([CH3:2])[CH:13]=[C:15]([CH2:14][S:41]([OH:36])(=[O:37])=[O:38])[C:16]2=[CH:10][C:17]3=[C:20]([CH:12]=[C:19]2[N:30]1[CH2:9][CH2:5][CH2:3][CH2:4][CH2:6][C:23](=[O:34])[O:40][N:31]1[C:21](=[O:32])[CH2:7][CH2:8][C:22]1=[O:33])[O:39][C:24](=[O:35])[CH:11]=[C:18]3[C:26]([F:27])([F:28])[F:29].[CH3:42][CH2:45][N:48]([CH2:46][CH3:43])[CH2:47][CH3:44] |
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