| Properties | Image |
|---|
| MNX_ID | MNXM1184224 |
 |
| reference | envipathM:...13641e7a0faf |
| formula | C25H29N6O4 |
| global charge | -1 |
| mol weight | 477.545 |
| InChIKey | LHSCNKCMIULUEX-UHFFFAOYSA-M |
| InChI | InChI=1S/C25H30N6O4/c1-2-3-10-20(27-25(24(34)35)13-6-7-14-25)26-15-16-11-12-18(22(33)21(16)32)17-8-4-5-9-19(17)23-28-30-31-29-23/h4-5,8-9,11-12,32-33H,2-3,6-7,10,13-15H2,1H3,(H,26,27)(H,34,35)(H,28,29,30,31)/p-1 |
| SMILES | CCCCC(=NC1(C(=O)[O-])CCCC1)NCC1=C(O)C(O)=C(C2=CC=CC=C2C2=NNN=N2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C25H30N6O4/c1-2-3-10-20(27-25(24(34)35)13-6-7-14-25)26-15-16-11-12-18(22(33)21(16)32)17-8-4-5-9-19(17)23-28-30-31-29-23/h4-5,8-9,11-12,32-33H,2-3,6-7,10,13-15H2,1H3,(H,26,27)(H,34,35)(H,28,29,30,31) |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:10][C:20](=[N:26][CH2:15][C:16]1=[C:21]([OH:32])[C:22]([OH:33])=[C:18]([C:17]2=[CH:8][CH:4]=[CH:5][CH:9]=[C:19]2[C:23]2=[N:28][NH:30][N:31]=[N:29]2)[CH:12]=[CH:11]1)[NH:27][C:25]1([C:24](=[O:34])[OH:35])[CH2:13][CH2:6][CH2:7][CH2:14]1 |
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