| Properties | Image |
|---|
| MNX_ID | MNXM728608 |
 |
| reference | biggM:3ooctACP |
| formula | C19H33N2O9PS* |
| global charge | -1 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]OP(=O)([O-])OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C20H37N2O9PS/c1-5-6-7-8-15(23)13-17(25)33-12-11-21-16(24)9-10-22-19(27)18(26)20(2,3)14-31-32(28,29)30-4/h18,26H,5-14H2,1-4H3,(H,21,24)(H,22,27)(H,28,29)/t18?/i4+1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][C:15]([CH2:13][C:17](=[O:25])[S:33][CH2:12][CH2:11][N:21]=[C:16]([CH2:9][CH2:10][N:22]=[C:19]([CH:18]([C:20]([CH3:2])([CH3:3])[CH2:14][O:31][P:32]([OH:28])(=[O:29])[O:30][13CH3:4])[OH:26])[OH:27])[OH:24])=[O:23] |
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