| Properties | Image |
|---|
| MNX_ID | MNXM1137944 |
 |
| reference | envipathM:...c7bc00be72df |
| formula | C19H18N5O5 |
| global charge | -1 |
| mol weight | 396.383 |
| InChIKey | VCLWXPOHZLQPAO-UHFFFAOYSA-M |
| InChI | InChI=1S/C19H19N5O5/c1-10(9-25)17(19(28)29)20-8-11-2-4-12(5-3-11)13-6-15(26)16(27)7-14(13)18-21-23-24-22-18/h2-7,9-10,17,20,26-27H,8H2,1H3,(H,28,29)(H,21,22,23,24)/p-1 |
| SMILES | CC(C=O)C(NCC1=CC=C(C2=CC(O)=C(O)C=C2C2=NNN=N2)C=C1)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C19H19N5O5/c1-10(9-25)17(19(28)29)20-8-11-2-4-12(5-3-11)13-6-15(26)16(27)7-14(13)18-21-23-24-22-18/h2-7,9-10,17,20,26-27H,8H2,1H3,(H,28,29)(H,21,22,23,24)/t10?,17? |
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| SMILES (mnx) | [CH3:1][CH:10]([CH:9]=[O:25])[CH:17]([C:19](=[O:28])[OH:29])[NH:20][CH2:8][C:11]1=[CH:3][CH:5]=[C:12]([C:13]2=[CH:6][C:15]([OH:26])=[C:16]([OH:27])[CH:7]=[C:14]2[C:18]2=[N:21][NH:23][N:24]=[N:22]2)[CH:4]=[CH:2]1 |
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