| Properties | Image |
|---|
| MNX_ID | MNXM1191935 |
 |
| reference | envipathM:...5c97a9b2ef86 |
| formula | C49H90N6O5 |
| global charge | 0 |
| mol weight | 843.296 |
| InChIKey | RAANOJDUDGRIHT-UHFFFAOYSA-N |
| InChI | InChI=1S/C49H90N6O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-29-33-46(57)52-41-37-50-39-43-54-48(59)35-36-49(60)55-44-40-51-38-42-53-47(58)34-30-26-25-28-32-45(56)31-27-23-21-12-10-8-6-4-2/h11,13,16-17,27,31,35-36,45,50-51,56H,3-10,12,14-15,18-26,28-30,32-34,37-44H2,1-2H3,(H,52,57)(H,53,58)(H,54,59)(H,55,60) |
| SMILES | CCCCCC=CCCC=CCCCCCCCC(=O)NCCNCCNC(=O)C=CC(=O)NCCNCCNC(=O)CCCCCCC(O)C=CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C49H90N6O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-29-33-46(57)52-41-37-50-39-43-54-48(59)35-36-49(60)55-44-40-51-38-42-53-47(58)34-30-26-25-28-32-45(56)31-27-23-21-12-10-8-6-4-2/h11,13,16-17,27,31,35-36,45,50-51,56H,3-10,12,14-15,18-26,28-30,32-34,37-44H2,1-2H3,(H,52,57)(H,53,58)(H,54,59)(H,55,60)/b13-11?,17-16?,31-27?,36-35?/t45? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH:11]=[CH:13][CH2:14][CH2:15][CH:16]=[CH:17][CH2:18][CH2:19][CH2:20][CH2:22][CH2:24][CH2:29][CH2:33][C:46](=[N:52][CH2:41][CH2:37][NH:50][CH2:39][CH2:43][N:54]=[C:48]([CH:35]=[CH:36][C:49](=[N:55][CH2:44][CH2:40][NH:51][CH2:38][CH2:42][N:53]=[C:47]([CH2:34][CH2:30][CH2:26][CH2:25][CH2:28][CH2:32][CH:45]([CH:31]=[CH:27][CH2:23][CH2:21][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:56])[OH:58])[OH:60])[OH:59])[OH:57] |
|