| Properties | Image |
| MNX_ID | MNXM339020 |
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| reference | chebi:114278 |
| formula | C25H29N3O4S |
| global charge | 0 |
| mol weight | 467.591 |
| InChIKey | VNNCJTKVOGVWQA-UHFFFAOYSA-N |
| InChI | InChI=1S/C25H29N3O4S/c29-24-11-8-19-16-20(9-10-22(19)26-24)33(31,32)28-14-12-18(13-15-28)25(30)27-23-7-3-5-17-4-1-2-6-21(17)23/h1-2,4,6,9-10,16,18,23H,3,5,7-8,11-15H2,(H,26,29)(H,27,30) |
| SMILES | O=C1CCC2=C(C=CC(S(=O)(=O)N3CCC(C(=O)NC4CCCC5=CC=CC=C54)CC3)=C2)N1 |
MNX internals
| InChI (mnx) | InChI=1/C25H29N3O4S/c29-24-11-8-19-16-20(9-10-22(19)26-24)33(31,32)28-14-12-18(13-15-28)25(30)27-23-7-3-5-17-4-1-2-6-21(17)23/h1-2,4,6,9-10,16,18,23H,3,5,7-8,11-15H2,(H,26,29)(H,27,30)/t23? |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:21]2[C:17](=[CH:4]1)[CH2:5][CH2:3][CH2:7][CH:23]2[N:27]=[C:25]([CH:18]1[CH2:12][CH2:14][N:28]([S:33]([C:20]2=[CH:9][CH:10]=[C:22]3[C:19](=[CH:16]2)[CH2:8][CH2:11][C:24](=[O:29])[NH:26]3)(=[O:31])=[O:32])[CH2:15][CH2:13]1)[OH:30] |
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