| Properties | Image |
|---|
| MNX_ID | MNXM113860 |
 |
| reference | chebi:67335 |
| formula | C40H58N4O8 |
| global charge | 0 |
| mol weight | 722.924 |
| InChIKey | DIXVUYUBAUWGGM-GRSBAPKZSA-N |
| InChI | InChI=1S/C40H58N4O8/c1-11-12-14-21-30-27(8)35(45)41-32(24(2)3)38(48)43(10)34(26(6)7)40(50)52-31(23-28-18-15-13-16-19-28)37(47)44-22-17-20-29(44)36(46)42(9)33(25(4)5)39(49)51-30/h1,13,15-16,18-19,24-27,29-34H,12,14,17,20-23H2,2-10H3,(H,41,45)/t27-,29-,30+,31-,32-,33-,34-/m0/s1 |
| SMILES | C#CCCC[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)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/C40H58N4O8/c1-11-12-14-21-30-27(8)35(45)41-32(24(2)3)38(48)43(10)34(26(6)7)40(50)52-31(23-28-18-15-13-16-19-28)37(47)44-22-17-20-29(44)36(46)42(9)33(25(4)5)39(49)51-30/h1,13,15-16,18-19,24-27,29-34H,12,14,17,20-23H2,2-10H3,(H,41,45)/t27-,29-,30+,31-,32-,33-,34-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]#[C:11][CH2:12][CH2:14][CH2:21][C@@H:30]1[C@H:27]([CH3:8])[C:35]([OH:45])=[N:41][C@@H:32]([CH:24]([CH3:2])[CH3:3])[C:38](=[O:48])[N:43]([CH3:10])[C@@H:34]([CH:26]([CH3:6])[CH3:7])[C:40](=[O:50])[O:52][C@@H:31]([CH2:23][C:28]2=[CH:18][CH:15]=[CH:13][CH:16]=[CH:19]2)[C:37](=[O:47])[N:44]2[CH2:22][CH2:17][CH2:20][C@H:29]2[C:36](=[O:46])[N:42]([CH3:9])[C@@H:33]([CH:25]([CH3:4])[CH3:5])[C:39](=[O:49])[O:51]1 |
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