| Properties | Image |
|---|
| MNX_ID | MNXM102344 |
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| reference | chebi:65346 |
| formula | C26H30NO4S2 |
| global charge | 1 |
| mol weight | 484.663 |
| InChIKey | ASMXXROZKSBQIH-VITNCHFBSA-N |
| InChI | InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1 |
| SMILES | O=C(O[C@H]1C[N+]2(CCCOC3=CC=CC=C3)CCC1CC2)C(O)(C1=CC=CS1)C1=CC=CS1 |
MNX internals
| InChI (mnx) | InChI=1/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:7]=[C:21]([O:30][CH2:16][CH2:6][CH2:13][N+:27]23[CH2:14][CH2:11][CH:20]([CH2:12][CH2:15]2)[C@@H:22]([O:31][C:25]([C:26]([C:23]2=[CH:9][CH:4]=[CH:17][S:32]2)([C:24]2=[CH:10][CH:5]=[CH:18][S:33]2)[OH:29])=[O:28])[CH2:19]3)[CH:8]=[CH:3]1 |
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