| Properties | Image |
|---|
| MNX_ID | MNXM1126993 |
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| reference | chebi:164410 |
| formula | C20H24N6O4 |
| global charge | 0 |
| mol weight | 412.45 |
| InChIKey | OFNPHOGOJLNVLL-KCTSRDHCSA-N |
| InChI | InChI=1S/C20H24N6O4/c1-11(18(27)26-17(20(29)30)7-13-9-22-10-24-13)25-19(28)15(21)6-12-8-23-16-5-3-2-4-14(12)16/h2-5,8-11,15,17,23H,6-7,21H2,1H3,(H,22,24)(H,25,28)(H,26,27)(H,29,30)/t11-,15-,17-/m0/s1 |
| SMILES | C[C@H](NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H24N6O4/c1-11(18(27)26-17(20(29)30)7-13-9-22-10-24-13)25-19(28)15(21)6-12-8-23-16-5-3-2-4-14(12)16/h2-5,8-11,15,17,23H,6-7,21H2,1H3,(H,22,24)(H,25,28)(H,26,27)(H,29,30)/t11-,15-,17-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:11]([C:18](=[N:26][C@@H:17]([CH2:7][C:13]1=[CH:9][N:22]=[CH:10][NH:24]1)[C:20](=[O:29])[OH:30])[OH:27])[N:25]=[C:19]([C@H:15]([CH2:6][C:12]1=[CH:8][NH:23][C:16]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:14]12)[NH2:21])[OH:28] |
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