| Properties | Image |
|---|
| MNX_ID | MNXM1134413 |
 |
| reference | metacycM:Gly-ClbJ-NRPS |
| formula | C16H28N4O9PS*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)CN)C([*])=O |
MNX internals
| InChI (mnx) | InChI=1/C18H35N4O9PS/c1-12(23)13(20-4)10-30-32(28,29)31-11-18(2,3)16(26)17(27)22-6-5-14(24)21-7-8-33-15(25)9-19/h13,16,20,26H,5-11,19H2,1-4H3,(H,21,24)(H,22,27)(H,28,29)/t13-,16-/m0/s1/i1+1,4+1 |
 |
| SMILES (mnx) | [13CH3:1][C:12]([C@H:13]([CH2:10][O:30][P:32]([OH:28])(=[O:29])[O:31][CH2:11][C:18]([CH3:2])([CH3:3])[C@H:16]([C:17](=[N:22][CH2:6][CH2:5][C:14](=[N:21][CH2:7][CH2:8][S:33][C:15]([CH2:9][NH2:19])=[O:25])[OH:24])[OH:27])[OH:26])[NH:20][13CH3:4])=[O:23] |
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