| Properties | Image |
|---|
| MNX_ID | MNXM44678 |
 |
| reference | keggD:D03253 |
| formula | C33H41N3O10S2 |
| global charge | 0 |
| mol weight | 703.836 |
| InChIKey | JORVRJNILJXMMG-OLNQLETPSA-N |
| InChI | InChI=1S/C33H41N3O10S2/c1-20(2)14-36(48(39,40)25-8-9-29-30(13-25)45-19-44-29)15-28(37)27(35-33(38)46-31-17-43-32-26(31)10-11-41-32)12-22-4-6-24(7-5-22)42-16-23-18-47-21(3)34-23/h4-9,13,18,20,26-28,31-32,37H,10-12,14-17,19H2,1-3H3,(H,35,38)/t26-,27-,28+,31-,32+/m0/s1 |
| SMILES | CC1=NC(COC2=CC=C(C[C@H](NC(=O)O[C@H]3CO[C@H]4OCC[C@H]43)[C@H](O)CN(CC(C)C)S(=O)(=O)C3=CC=C4OCOC4=C3)C=C2)=CS1 |
MNX internals
| InChI (mnx) | InChI=1/C33H41N3O10S2/c1-20(2)14-36(48(39,40)25-8-9-29-30(13-25)45-19-44-29)15-28(37)27(35-33(38)46-31-17-43-32-26(31)10-11-41-32)12-22-4-6-24(7-5-22)42-16-23-18-47-21(3)34-23/h4-9,13,18,20,26-28,31-32,37H,10-12,14-17,19H2,1-3H3,(H,35,38)/t26-,27-,28+,31-,32+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:20]([CH3:2])[CH2:14][N:36]([CH2:15][C@H:28]([C@H:27]([CH2:12][C:22]1=[CH:5][CH:7]=[C:24]([O:42][CH2:16][C:23]2=[CH:18][S:47][C:21]([CH3:3])=[N:34]2)[CH:6]=[CH:4]1)[N:35]=[C:33]([OH:38])[O:46][C@H:31]1[CH2:17][O:43][C@@H:32]2[C@H:26]1[CH2:10][CH2:11][O:41]2)[OH:37])[S:48]([C:25]1=[CH:13][C:30]2=[C:29]([CH:9]=[CH:8]1)[O:44][CH2:19][O:45]2)(=[O:39])=[O:40] |
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