| Properties | Image |
|---|
| MNX_ID | MNXM1196135 |
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| reference | envipathM:...7764f6cdcf99 |
| formula | C36H42N7O5 |
| global charge | -1 |
| mol weight | 652.776 |
| InChIKey | RJAJFPHXGYDSAL-UHFFFAOYSA-M |
| InChI | InChI=1S/C36H43N7O5/c1-6-8-9-23(7-2)22-48-32(47)26-14-20-29(21-15-26)39-35-41-33(37-27-16-10-24(11-17-27)30(44)43-36(3,4)5)40-34(42-35)38-28-18-12-25(13-19-28)31(45)46/h10-21,23H,6-9,22H2,1-5H3,(H,43,44)(H,45,46)(H3,37,38,39,40,41,42)/p-1 |
| SMILES | CCCCC(CC)COC(=O)C1=CC=C(NC2=NC(NC3=CC=C(C(=O)[O-])C=C3)=NC(NC3=CC=C(C(=O)NC(C)(C)C)C=C3)=N2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C36H43N7O5/c1-6-8-9-23(7-2)22-48-32(47)26-14-20-29(21-15-26)39-35-41-33(37-27-16-10-24(11-17-27)30(44)43-36(3,4)5)40-34(42-35)38-28-18-12-25(13-19-28)31(45)46/h10-21,23H,6-9,22H2,1-5H3,(H,43,44)(H,45,46)(H3,37,38,39,40,41,42)/t23? |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:9][CH:23]([CH2:7][CH3:2])[CH2:22][O:48][C:32]([C:26]1=[CH:15][CH:21]=[C:29]([NH:39][C:35]2=[N:41][C:33]([NH:37][C:27]3=[CH:17][CH:11]=[C:24]([C:30]([NH:43][C:36]([CH3:3])([CH3:4])[CH3:5])=[O:44])[CH:10]=[CH:16]3)=[N:40][C:34]([NH:38][C:28]3=[CH:19][CH:13]=[C:25]([C:31]([OH:45])=[O:46])[CH:12]=[CH:18]3)=[N:42]2)[CH:20]=[CH:14]1)=[O:47] |
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