| Properties | Image |
|---|
| MNX_ID | MNXM1120656 |
 |
| reference | chebi:158037 |
| formula | C20H24N6O5 |
| global charge | 0 |
| mol weight | 428.449 |
| InChIKey | YBDOQKVAGTWZMI-XIRDDKMYSA-N |
| InChI | InChI=1S/C20H24N6O5/c21-14(6-12-8-22-10-24-12)18(28)25-16(19(29)26-17(9-27)20(30)31)5-11-7-23-15-4-2-1-3-13(11)15/h1-4,7-8,10,14,16-17,23,27H,5-6,9,21H2,(H,22,24)(H,25,28)(H,26,29)(H,30,31)/t14-,16-,17-/m0/s1 |
| SMILES | N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H24N6O5/c21-14(6-12-8-22-10-24-12)18(28)25-16(19(29)26-17(9-27)20(30)31)5-11-7-23-15-4-2-1-3-13(11)15/h1-4,7-8,10,14,16-17,23,27H,5-6,9,21H2,(H,22,24)(H,25,28)(H,26,29)(H,30,31)/t14-,16-,17-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:15]2[C:13](=[CH:3]1)[C:11]([CH2:5][C@@H:16]([C:19](=[N:26][C@@H:17]([CH2:9][OH:27])[C:20](=[O:30])[OH:31])[OH:29])[N:25]=[C:18]([C@H:14]([CH2:6][C:12]1=[CH:8][N:22]=[CH:10][NH:24]1)[NH2:21])[OH:28])=[CH:7][NH:23]2 |
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