| Properties | Image |
|---|
| MNX_ID | MNXM12918 |
 |
| reference | chebi:59637 |
| formula | C17H29N3O13S |
| global charge | 0 |
| mol weight | 515.494 |
| InChIKey | SRWNXRWNXKQRNS-FQBKTPCVSA-N |
| InChI | InChI=1S/C17H29N3O13S/c1-4(22)18-5(3-34-20-31)16(30)19-7-9(24)8(23)6(2-21)32-17(7)33-15-13(28)11(26)10(25)12(27)14(15)29/h5-15,17,21,23-29H,2-3H2,1H3,(H,18,22)(H,19,30)/t5-,6+,7+,8+,9+,10-,11-,12+,13+,14+,15-,17+/m0/s1 |
| SMILES | CC(=O)N[C@@H](CSN=O)C(=O)N[C@H]1[C@@H](O[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C17H29N3O13S/c1-4(22)18-5(3-34-20-31)16(30)19-7-9(24)8(23)6(2-21)32-17(7)33-15-13(28)11(26)10(25)12(27)14(15)29/h5-15,17,21,23-29H,2-3H2,1H3,(H,18,22)(H,19,30)/t5-,6+,7+,8+,9+,10-,11-,12+,13+,14+,15-,17+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:4](=[N:18][C@@H:5]([CH2:3][S:34][N:20]=[O:31])[C:16](=[N:19][C@@H:7]1[C@@H:9]([OH:24])[C@H:8]([OH:23])[C@@H:6]([CH2:2][OH:21])[O:32][C@@H:17]1[O:33][C@H:15]1[C@H:13]([OH:28])[C@@H:11]([OH:26])[C@H:10]([OH:25])[C@@H:12]([OH:27])[C@H:14]1[OH:29])[OH:30])[OH:22] |
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