| Properties | Image |
|---|
| MNX_ID | MNXM108591 |
 |
| reference | chebi:66310 |
| formula | C18H24N2O6S2 |
| global charge | 0 |
| mol weight | 428.532 |
| InChIKey | UJDXMQJEYGMBMN-FQPNBHNHSA-N |
| InChI | InChI=1S/C18H24N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h7-14,21-24H,1-6H2/t7-,8-,9+,10+,11+,12+,13+,14+,17-,18-/m1/s1 |
| SMILES | O=C1N2[C@H]3[C@H](C[C@]24SS[C@]12C[C@H]1[C@@H]([C@@H](O)CC[C@@H]1O)N2C4=O)[C@@H](O)CC[C@@H]3O |
MNX internals
| InChI (mnx) | InChI=1/C18H24N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h7-14,21-24H,1-6H2/t7-,8-,9+,10+,11+,12+,13+,14+,17-,18-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]1[CH2:3][C@H:11]([OH:23])[C@@H:13]2[C@H:7]([CH2:5][C@@:17]34[C:15](=[O:25])[N:20]5[C@H:14]6[C@H:8]([CH2:6][C@:18]5([C:16](=[O:26])[N:19]23)[S:28][S:27]4)[C@@H:10]([OH:22])[CH2:2][CH2:4][C@@H:12]6[OH:24])[C@H:9]1[OH:21] |
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