| Properties | Image |
|---|
| MNX_ID | MNXM528535 |
 |
| reference | chebi:101433 |
| formula | C31H37N3O4S |
| global charge | 0 |
| mol weight | 547.721 |
| InChIKey | NHZALIQGAPONCQ-XGFTYPEHSA-N |
| InChI | InChI=1S/C31H37N3O4S/c1-6-9-21-10-7-12-23(16-21)29-28-24(20-34(27(28)14-15-35)39(37)31(2,3)4)18-26(33-29)30(36)32-19-22-11-8-13-25(17-22)38-5/h6-13,16-18,27,35H,14-15,19-20H2,1-5H3,(H,32,36)/t27-,39-/m0/s1 |
| SMILES | CC=CC1=CC=CC(C2=C3C(=CC(C(=O)NCC4=CC(OC)=CC=C4)=N2)CN([S@@](=O)C(C)(C)C)[C@H]3CCO)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C31H37N3O4S/c1-6-9-21-10-7-12-23(16-21)29-28-24(20-34(27(28)14-15-35)39(37)31(2,3)4)18-26(33-29)30(36)32-19-22-11-8-13-25(17-22)38-5/h6-13,16-18,27,35H,14-15,19-20H2,1-5H3,(H,32,36)/b9-6?/t27-,39-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:6]=[CH:9][C:21]1=[CH:16][C:23]([C:29]2=[C:28]3[C:24](=[CH:18][C:26]([C:30]([NH:32][CH2:19][C:22]4=[CH:17][C:25]([O:38][CH3:5])=[CH:13][CH:8]=[CH:11]4)=[O:36])=[N:33]2)[CH2:20][N:34]([S@:39]([C:31]([CH3:2])([CH3:3])[CH3:4])=[O:37])[C@H:27]3[CH2:14][CH2:15][OH:35])=[CH:12][CH:7]=[CH:10]1 |
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