| Properties | Image |
|---|
| MNX_ID | MNXM106747 |
 |
| reference | chebi:69399 |
| formula | C47H79F3N6O10 |
| global charge | 0 |
| mol weight | 945.175 |
| InChIKey | JUYJTWWVQUBXQS-MJWABNJBSA-N |
| InChI | InChI=1S/C45H78N6O8.C2HF3O2/c1-3-35-21-15-16-25-43(58-35)32-34-23-24-36-38(44(26-18-20-33(2)57-44)49-42(48-43)51(34)36)40(53)56-31-17-13-11-9-7-5-4-6-8-10-12-14-22-37-39(52)50(30-19-28-46)41(54)45(55,59-37)27-29-47;3-2(4,5)1(6)7/h15,21,33-38,41,54-55H,3-14,16-20,22-32,46-47H2,1-2H3,(H,48,49);(H,6,7)/t33-,34+,35+,36-,37-,38-,41-,43+,44-,45+;/m0./s1 |
| SMILES | CC[C@@H]1C=CCC[C@]2(C[C@H]3CC[C@H]4[C@@H](C(=O)OCCCCCCCCCCCCCC[C@@H]5O[C@](O)(CCN)[C@H](O)N(CCCN)C5=O)[C@@]5(CCC[C@H](C)O5)NC(=[N+]34)N2)O1.O=C([O-])C(F)(F)F |
MNX internals
| InChI (mnx) | InChI=1/C45H78N6O8.C2HF3O2/c1-3-35-21-15-16-25-43(58-35)32-34-23-24-36-38(44(26-18-20-33(2)57-44)49-42(48-43)51(34)36)40(53)56-31-17-13-11-9-7-5-4-6-8-10-12-14-22-37-39(52)50(30-19-28-46)41(54)45(55,59-37)27-29-47;3-2(4,5)1(6)7/h15,21,33-38,41,54-55H,3-14,16-20,22-32,46-47H2,1-2H3,(H,48,49);(H,6,7)/t33-,34+,35+,36-,37-,38-,41-,43+,44-,45+;/m0./s1 |
 |
| SMILES (mnx) | [C:60]([C:61]([F:62])([F:63])[F:64])(=[O:65])[OH:66].[CH3:1][CH2:3][C@@H:35]1[CH:21]=[CH:15][CH2:16][CH2:25][C@:43]2([CH2:32][C@H:34]3[CH2:23][CH2:24][C@H:36]4[C@@H:38]([C:40](=[O:53])[O:56][CH2:31][CH2:17][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:22][C@H:37]5[C:39](=[O:52])[N:50]([CH2:30][CH2:19][CH2:28][NH2:46])[C@@H:41]([OH:54])[C@:45]([CH2:27][CH2:29][NH2:47])([OH:55])[O:59]5)[C@@:44]5([CH2:26][CH2:18][CH2:20][C@H:33]([CH3:2])[O:57]5)[NH:49][C:42](=[N:48]2)[N:51]34)[O:58]1 |
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