| Properties | Image |
|---|
| MNX_ID | MNXM528376 |
 |
| reference | chebi:100519 |
| formula | C29H34N4O3S |
| global charge | 0 |
| mol weight | 518.683 |
| InChIKey | DWWWKKNSQALGRT-RSUXDYMJSA-N |
| InChI | InChI=1S/C29H34N4O3S/c1-5-7-20-8-6-9-22(16-20)27-26-23(19-33(25(26)12-15-34)37(36)29(2,3)4)17-24(32-27)28(35)31-18-21-10-13-30-14-11-21/h5-11,13-14,16-17,25,34H,12,15,18-19H2,1-4H3,(H,31,35)/t25-,37-/m0/s1 |
| SMILES | CC=CC1=CC=CC(C2=C3C(=CC(C(=O)NCC4=CC=NC=C4)=N2)CN([S@@](=O)C(C)(C)C)[C@H]3CCO)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C29H34N4O3S/c1-5-7-20-8-6-9-22(16-20)27-26-23(19-33(25(26)12-15-34)37(36)29(2,3)4)17-24(32-27)28(35)31-18-21-10-13-30-14-11-21/h5-11,13-14,16-17,25,34H,12,15,18-19H2,1-4H3,(H,31,35)/b7-5?/t25-,37-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:5]=[CH:7][C:20]1=[CH:16][C:22]([C:27]2=[C:26]3[C:23](=[CH:17][C:24]([C:28]([NH:31][CH2:18][C:21]4=[CH:11][CH:14]=[N:30][CH:13]=[CH:10]4)=[O:35])=[N:32]2)[CH2:19][N:33]([S@:37]([C:29]([CH3:2])([CH3:3])[CH3:4])=[O:36])[C@H:25]3[CH2:12][CH2:15][OH:34])=[CH:9][CH:6]=[CH:8]1 |
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