| Properties | Image |
|---|
| MNX_ID | MNXM1364551 |
 |
| reference | vmhM:5forthf |
| formula | C20H22N8O6 |
| global charge | -2 |
| mol weight | 470.446 |
| InChIKey | YCWUVLPMLLBDCU-YYZPVKLSSA-L |
| InChI | InChI=1S/C20H24N8O6/c21-9-28-12(8-24-16-15(28)18(32)27-20(22)26-16)7-23-11-3-1-10(2-4-11)17(31)25-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,21,23H,5-8H2,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27,32)/p-2/b21-9-/t12-,13-/m0/s1 |
| SMILES | [H]/N=C\N1C2=C(NC[C@@H]1CNC1=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)O)C=C1)N/C(=N\[H])N=C2[O-] |
MNX internals
| InChI (mnx) | InChI=1/C20H24N8O6/c21-9-28-12(8-24-16-15(28)18(32)27-20(22)26-16)7-23-11-3-1-10(2-4-11)17(31)25-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,21,23H,5-8H2,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27,32)/b21-9-/t12-,13-/m0/s1 |
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| SMILES (mnx) | [H]/[N:21]=[CH:9]\[N:28]1[C@@H:12]([CH2:7][NH:23][C:11]2=[CH:4][CH:2]=[C:10]([C:17]([NH:25][C@@H:13]([CH2:5][CH2:6][C:14](=[O:29])[OH:30])[C:19](=[O:33])[OH:34])=[O:31])[CH:1]=[CH:3]2)[CH2:8][NH:24][C:16]2=[C:15]1[C:18]([OH:32])=[N:27][C:20](=[NH:22])[NH:26]2 |
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