| Properties | Image |
|---|
| MNX_ID | MNXM1173803 |
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| reference | envipathM:...4ebffa5cba39 |
| formula | C19H20N5O6 |
| global charge | -1 |
| mol weight | 414.398 |
| InChIKey | JZLXVIJGWWAPDP-UHFFFAOYSA-M |
| InChI | InChI=1S/C19H21N5O6/c1-19(2,30)16(18(28)29)20-8-9-7-12(25)13(15(27)14(9)26)10-5-3-4-6-11(10)17-21-23-24-22-17/h3-7,16,20,25-27,30H,8H2,1-2H3,(H,28,29)(H,21,22,23,24)/p-1 |
| SMILES | CC(C)(O)C(NCC1=C(O)C(O)=C(C2=CC=CC=C2C2=NNN=N2)C(O)=C1)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C19H21N5O6/c1-19(2,30)16(18(28)29)20-8-9-7-12(25)13(15(27)14(9)26)10-5-3-4-6-11(10)17-21-23-24-22-17/h3-7,16,20,25-27,30H,8H2,1-2H3,(H,28,29)(H,21,22,23,24)/t16? |
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| SMILES (mnx) | [CH3:1][C:19]([CH3:2])([CH:16]([C:18](=[O:28])[OH:29])[NH:20][CH2:8][C:9]1=[CH:7][C:12]([OH:25])=[C:13]([C:10]2=[CH:5][CH:3]=[CH:4][CH:6]=[C:11]2[C:17]2=[N:21][NH:23][N:24]=[N:22]2)[C:15]([OH:27])=[C:14]1[OH:26])[OH:30] |
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