| Properties | Image |
|---|
| MNX_ID | MNXM1562785 |
 |
| reference | metacycM:CPLX-85422 |
| formula | C21H35N3O11PS*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)[C@@H]1CC[C@@H](O)[C@H](O)C1)C([*])=O |
MNX internals
| InChI (mnx) | InChI=1/C23H42N3O11PS/c1-14(27)16(24-4)12-36-38(34,35)37-13-23(2,3)20(31)21(32)26-8-7-19(30)25-9-10-39-22(33)15-5-6-17(28)18(29)11-15/h15-18,20,24,28-29,31H,5-13H2,1-4H3,(H,25,30)(H,26,32)(H,34,35)/t15-,16+,17-,18-,20+/m1/s1/i1+1,4+1 |
 |
| SMILES (mnx) | [13CH3:1][C:14]([C@H:16]([CH2:12][O:36][P:38]([OH:34])(=[O:35])[O:37][CH2:13][C:23]([CH3:2])([CH3:3])[C@H:20]([C:21](=[N:26][CH2:8][CH2:7][C:19](=[N:25][CH2:9][CH2:10][S:39][C:22]([C@@H:15]1[CH2:5][CH2:6][C@@H:17]([OH:28])[C@H:18]([OH:29])[CH2:11]1)=[O:33])[OH:30])[OH:32])[OH:31])[NH:24][13CH3:4])=[O:27] |
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