| Properties | Image |
|---|
| MNX_ID | MNXM113857 |
 |
| reference | chebi:67332 |
| formula | C37H60N4O8 |
| global charge | 0 |
| mol weight | 688.907 |
| InChIKey | DOTFUBBQWCBCSH-AVCHBABLSA-N |
| InChI | InChI=1S/C37H60N4O8/c1-13-15-16-19-27-25(10)32(42)38-28(21(3)4)34(44)40(12)30(23(7)8)37(47)49-31(24(9)14-2)35(45)41-20-17-18-26(41)33(43)39(11)29(22(5)6)36(46)48-27/h1,21-31H,14-20H2,2-12H3,(H,38,42)/t24-,25-,26-,27+,28-,29-,30-,31-/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(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]1C |
MNX internals
| InChI (mnx) | InChI=1/C37H60N4O8/c1-13-15-16-19-27-25(10)32(42)38-28(21(3)4)34(44)40(12)30(23(7)8)37(47)49-31(24(9)14-2)35(45)41-20-17-18-26(41)33(43)39(11)29(22(5)6)36(46)48-27/h1,21-31H,14-20H2,2-12H3,(H,38,42)/t24-,25-,26-,27+,28-,29-,30-,31-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]#[C:13][CH2:15][CH2:16][CH2:19][C@@H:27]1[C@H:25]([CH3:10])[C:32]([OH:42])=[N:38][C@@H:28]([CH:21]([CH3:3])[CH3:4])[C:34](=[O:44])[N:40]([CH3:12])[C@@H:30]([CH:23]([CH3:7])[CH3:8])[C:37](=[O:47])[O:49][C@@H:31]([C@@H:24]([CH3:9])[CH2:14][CH3:2])[C:35](=[O:45])[N:41]2[CH2:20][CH2:17][CH2:18][C@H:26]2[C:33](=[O:43])[N:39]([CH3:11])[C@@H:29]([CH:22]([CH3:5])[CH3:6])[C:36](=[O:46])[O:48]1 |
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