| Properties | Image |
|---|
| MNX_ID | MNXM1139167 |
 |
| reference | envipathM:...2f4b9ef4a2d1 |
| formula | C21H22N5O5 |
| global charge | -1 |
| mol weight | 424.437 |
| InChIKey | WBUYSUPWQSKARJ-UHFFFAOYSA-M |
| InChI | InChI=1S/C21H23N5O5/c27-13-16(28)9-10-19(29)26(12-20(30)31)11-14-5-7-15(8-6-14)17-3-1-2-4-18(17)21-22-24-25-23-21/h1-8,16,27-28H,9-13H2,(H,30,31)(H,22,23,24,25)/p-1 |
| SMILES | O=C([O-])CN(CC1=CC=C(C2=C(C3=NNN=N3)C=CC=C2)C=C1)C(=O)CCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C21H23N5O5/c27-13-16(28)9-10-19(29)26(12-20(30)31)11-14-5-7-15(8-6-14)17-3-1-2-4-18(17)21-22-24-25-23-21/h1-8,16,27-28H,9-13H2,(H,30,31)(H,22,23,24,25)/t16? |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:18]([C:21]2=[N:22][NH:24][N:25]=[N:23]2)[C:17]([C:15]2=[CH:8][CH:6]=[C:14]([CH2:11][N:26]([CH2:12][C:20](=[O:30])[OH:31])[C:19]([CH2:10][CH2:9][CH:16]([CH2:13][OH:27])[OH:28])=[O:29])[CH:5]=[CH:7]2)=[CH:3]1 |
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