| Properties | Image |
|---|
| MNX_ID | MNXM1562809 |
 |
| reference | metacycM:CorK-Intermediate-IV |
| formula | C22H35N3O10PS*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/C=C/C)C([*])=O |
MNX internals
| InChI (mnx) | InChI=1/C24H42N3O10PS/c1-6-7-8-9-18(29)14-21(31)39-13-12-26-20(30)10-11-27-23(33)22(32)24(3,4)16-37-38(34,35)36-15-19(25-5)17(2)28/h6-7,19,22,25,32H,8-16H2,1-5H3,(H,26,30)(H,27,33)(H,34,35)/b7-6+/t19-,22-/m0/s1/i2+1,5+1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:6]=[CH:7]/[CH2:8][CH2:9][C:18]([CH2:14][C:21](=[O:31])[S:39][CH2:13][CH2:12][N:26]=[C:20]([CH2:10][CH2:11][N:27]=[C:23]([C@@H:22]([C:24]([CH3:3])([CH3:4])[CH2:16][O:37][P:38]([OH:34])(=[O:35])[O:36][CH2:15][C@@H:19]([C:17]([13CH3:2])=[O:28])[NH:25][13CH3:5])[OH:32])[OH:33])[OH:30])=[O:29] |
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