| Properties | Image |
|---|
| MNX_ID | MNXM113865 |
 |
| reference | chebi:67341 |
| formula | C39H65BrN4O9 |
| global charge | 0 |
| mol weight | 813.872 |
| InChIKey | LUHSXKWLOOLDHE-WZBRKTEESA-N |
| InChI | InChI=1S/C39H65BrN4O9/c1-13-26(9)33(37(49)44-22-18-19-28(44)35(47)42(11)31(24(5)6)38(50)52-14-2)53-39(51)32(25(7)8)43(12)36(48)30(23(3)4)41-34(46)27(10)29(45)20-16-15-17-21-40/h23-33,45H,13-16,18-20,22H2,1-12H3,(H,41,46)/t26-,27-,28-,29+,30-,31-,32-,33-/m0/s1 |
| SMILES | CCOC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](C)[C@H](O)CCCC#CBr)C(C)C)[C@@H](C)CC |
MNX internals
| InChI (mnx) | InChI=1/C39H65BrN4O9/c1-13-26(9)33(37(49)44-22-18-19-28(44)35(47)42(11)31(24(5)6)38(50)52-14-2)53-39(51)32(25(7)8)43(12)36(48)30(23(3)4)41-34(46)27(10)29(45)20-16-15-17-21-40/h23-33,45H,13-16,18-20,22H2,1-12H3,(H,41,46)/t26-,27-,28-,29+,30-,31-,32-,33-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:13][C@H:26]([CH3:9])[C@@H:33]([C:37]([N:44]1[CH2:22][CH2:18][CH2:19][C@H:28]1[C:35]([N:42]([CH3:11])[C@@H:31]([CH:24]([CH3:5])[CH3:6])[C:38](=[O:50])[O:52][CH2:14][CH3:2])=[O:47])=[O:49])[O:53][C:39]([C@H:32]([CH:25]([CH3:7])[CH3:8])[N:43]([CH3:12])[C:36]([C@H:30]([CH:23]([CH3:3])[CH3:4])[N:41]=[C:34]([C@@H:27]([CH3:10])[C@@H:29]([CH2:20][CH2:16][CH2:15][C:17]#[C:21][Br:40])[OH:45])[OH:46])=[O:48])=[O:51] |
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