| Properties | Image |
|---|
| MNX_ID | MNXM108592 |
 |
| reference | chebi:66311 |
| formula | C18H20N2O6S2 |
| global charge | 0 |
| mol weight | 424.5 |
| InChIKey | ICKHXBRXCAORGF-ZJNFRVSGSA-N |
| InChI | InChI=1S/C18H20N2O6S2/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/h7-8,11-14,23-24H,1-6H2/t7-,8-,11+,12+,13-,14-,17-,18-/m1/s1 |
| SMILES | O=C1CC[C@H](O)[C@H]2[C@@H]1C[C@@]13SS[C@]4(C[C@@H]5C(=O)CC[C@H](O)[C@@H]5N4C1=O)C(=O)N23 |
MNX internals
| InChI (mnx) | InChI=1/C18H20N2O6S2/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/h7-8,11-14,23-24H,1-6H2/t7-,8-,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:10](=[O:22])[CH2:2][CH2:4][C@@H:12]6[OH:24])[C:9]1=[O:21] |
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