| Properties | Image |
|---|
| MNX_ID | MNXM744459 |
 |
| reference | biggM:6bhglzglc |
| formula | C21H29N3O10S |
| global charge | 0 |
| mol weight | 515.541 |
| InChIKey | NGQBWMLGJIIYTO-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H29N3O10S/c1-10-2-5-12(6-3-10)35(31,32)23-21(30)22-24-8-11-4-7-14(13(11)9-24)33-20-17(27)15(25)16(26)18(34-20)19(28)29/h2-3,5-6,11,13-18,20,25-27H,4,7-9H2,1H3,(H,28,29)(H2,22,23,30) |
| SMILES | CC1=CC=C(S(=O)(=O)NC(=O)NN2CC3CCC(OC4OC(C(=O)O)C(O)C(O)C4O)C3C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C21H29N3O10S/c1-10-2-5-12(6-3-10)35(31,32)23-21(30)22-24-8-11-4-7-14(13(11)9-24)33-20-17(27)15(25)16(26)18(34-20)19(28)29/h2-3,5-6,11,13-18,20,25-27H,4,7-9H2,1H3,(H,28,29)(H2,22,23,30)/t11?,13?,14?,15?,16?,17?,18?,20? |
 |
| SMILES (mnx) | [CH3:1][C:10]1=[CH:3][CH:6]=[C:12]([S:35]([NH:23][C:21](=[N:22][N:24]2[CH2:8][CH:11]3[CH2:4][CH2:7][CH:14]([O:33][CH:20]4[CH:17]([OH:27])[CH:15]([OH:25])[CH:16]([OH:26])[CH:18]([C:19](=[O:28])[OH:29])[O:34]4)[CH:13]3[CH2:9]2)[OH:30])(=[O:31])=[O:32])[CH:5]=[CH:2]1 |
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