| Properties | Image |
|---|
| MNX_ID | MNXM160880 |
 |
| reference | chebi:32106 |
| formula | C43H78N6O13 |
| global charge | 0 |
| mol weight | 887.126 |
| InChIKey | FKHUGQZRBPETJR-FZKCHLSLSA-N |
| InChI | InChI=1S/C43H78N6O13/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-34(52)45-26-21-20-22-32(42(58)59)48-35(53)25-24-31(39(44)55)49-40(56)28(2)46-41(57)29(3)61-38-36(47-30(4)51)43(60)62-33(27-50)37(38)54/h28-29,31-33,36-38,43,50,54,60H,5-27H2,1-4H3,(H2,44,55)(H,45,52)(H,46,57)(H,47,51)(H,48,53)(H,49,56)(H,58,59)/t28-,29+,31+,32-,33+,36+,37+,38+,43?/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(C)=O)C(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C43H78N6O13/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-34(52)45-26-21-20-22-32(42(58)59)48-35(53)25-24-31(39(44)55)49-40(56)28(2)46-41(57)29(3)61-38-36(47-30(4)51)43(60)62-33(27-50)37(38)54/h28-29,31-33,36-38,43,50,54,60H,5-27H2,1-4H3,(H2,44,55)(H,45,52)(H,46,57)(H,47,51)(H,48,53)(H,49,56)(H,58,59)/t28-,29+,31+,32-,33+,36+,37+,38+,43?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:23][C:34](=[N:45][CH2:26][CH2:21][CH2:20][CH2:22][C@@H:32]([C:42](=[O:58])[OH:59])[N:48]=[C:35]([CH2:25][CH2:24][C@H:31]([C:39](=[NH:44])[OH:55])[N:49]=[C:40]([C@H:28]([CH3:2])[N:46]=[C:41]([C@@H:29]([CH3:3])[O:61][C@@H:38]1[C@@H:36]([N:47]=[C:30]([CH3:4])[OH:51])[CH:43]([OH:60])[O:62][C@H:33]([CH2:27][OH:50])[C@H:37]1[OH:54])[OH:57])[OH:56])[OH:53])[OH:52] |
|