| Properties | Image |
|---|
| MNX_ID | MNXM1195851 |
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| reference | envipathM:...0faca691c8fc |
| formula | C20H26N5O5 |
| global charge | -1 |
| mol weight | 416.458 |
| InChIKey | APSZSPFBSLDFBM-UHFFFAOYSA-M |
| InChI | InChI=1S/C20H27N5O5/c1-4-5-15(26)19(28)25(17(12(2)3)20(29)30)11-14-8-6-13(7-9-14)10-16(27)18-21-23-24-22-18/h6-9,12,15,17,26H,4-5,10-11H2,1-3H3,(H,29,30)(H,21,22,23,24)/p-1 |
| SMILES | CCCC(O)C(=O)N(CC1=CC=C(CC(=O)C2=NNN=N2)C=C1)C(C(=O)[O-])C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C20H27N5O5/c1-4-5-15(26)19(28)25(17(12(2)3)20(29)30)11-14-8-6-13(7-9-14)10-16(27)18-21-23-24-22-18/h6-9,12,15,17,26H,4-5,10-11H2,1-3H3,(H,29,30)(H,21,22,23,24)/t15?,17? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH:15]([C:19]([N:25]([CH2:11][C:14]1=[CH:9][CH:7]=[C:13]([CH2:10][C:16]([C:18]2=[N:21][NH:23][N:24]=[N:22]2)=[O:27])[CH:6]=[CH:8]1)[CH:17]([CH:12]([CH3:2])[CH3:3])[C:20](=[O:29])[OH:30])=[O:28])[OH:26] |
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