| Properties | Image |
|---|
| MNX_ID | MNXM1133231 |
 |
| reference | chebi:155859 |
| formula | C26H37N3O14PS*2 |
| global charge | -1 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(C)=O)C([*])=O |
MNX internals
| InChI (mnx) | InChI=1/C28H44N3O14PS/c1-17(32)10-19(34)11-20(35)12-21(36)13-22(37)14-25(39)47-9-8-30-24(38)6-7-31-27(41)26(40)28(3,4)16-45-46(42,43)44-15-23(29-5)18(2)33/h23,26,29,40H,6-16H2,1-5H3,(H,30,38)(H,31,41)(H,42,43)/t23-,26-/m0/s1/i2+1,5+1 |
 |
| SMILES (mnx) | [CH3:1][C:17]([CH2:10][C:19]([CH2:11][C:20]([CH2:12][C:21]([CH2:13][C:22]([CH2:14][C:25](=[O:39])[S:47][CH2:9][CH2:8][N:30]=[C:24]([CH2:6][CH2:7][N:31]=[C:27]([C@@H:26]([C:28]([CH3:3])([CH3:4])[CH2:16][O:45][P:46]([OH:42])(=[O:43])[O:44][CH2:15][C@@H:23]([C:18]([13CH3:2])=[O:33])[NH:29][13CH3:5])[OH:40])[OH:41])[OH:38])=[O:37])=[O:36])=[O:35])=[O:34])=[O:32] |
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