| Properties | Image |
|---|
| MNX_ID | MNXM113859 |
 |
| reference | chebi:67334 |
| formula | C39H64N4O8 |
| global charge | 0 |
| mol weight | 716.961 |
| InChIKey | YKOAWVLIPQAKNV-ADVLKQFPSA-N |
| InChI | InChI=1S/C39H64N4O8/c1-13-17-18-21-29-27(10)34(44)40-30(24(7)14-2)36(46)42(12)32(25(8)15-3)39(49)51-33(26(9)16-4)37(47)43-22-19-20-28(43)35(45)41(11)31(23(5)6)38(48)50-29/h1,23-33H,14-22H2,2-12H3,(H,40,44)/t24-,25-,26-,27-,28-,29+,30-,31-,32-,33-/m0/s1 |
| SMILES | C#CCCC[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)OC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]1C |
MNX internals
| InChI (mnx) | InChI=1/C39H64N4O8/c1-13-17-18-21-29-27(10)34(44)40-30(24(7)14-2)36(46)42(12)32(25(8)15-3)39(49)51-33(26(9)16-4)37(47)43-22-19-20-28(43)35(45)41(11)31(23(5)6)38(48)50-29/h1,23-33H,14-22H2,2-12H3,(H,40,44)/t24-,25-,26-,27-,28-,29+,30-,31-,32-,33-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]#[C:13][CH2:17][CH2:18][CH2:21][C@@H:29]1[C@H:27]([CH3:10])[C:34]([OH:44])=[N:40][C@@H:30]([C@@H:24]([CH3:7])[CH2:14][CH3:2])[C:36](=[O:46])[N:42]([CH3:12])[C@@H:32]([C@@H:25]([CH3:8])[CH2:15][CH3:3])[C:39](=[O:49])[O:51][C@@H:33]([C@@H:26]([CH3:9])[CH2:16][CH3:4])[C:37](=[O:47])[N:43]2[CH2:22][CH2:19][CH2:20][C@H:28]2[C:35](=[O:45])[N:41]([CH3:11])[C@@H:31]([CH:23]([CH3:5])[CH3:6])[C:38](=[O:48])[O:50]1 |
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