| Properties | Image |
|---|
| MNX_ID | MNXM1120695 |
 |
| reference | chebi:158076 |
| formula | C18H23N5O6 |
| global charge | 0 |
| mol weight | 405.411 |
| InChIKey | JATYGDHMDRAISQ-KKUMJFAQSA-N |
| InChI | InChI=1S/C18H23N5O6/c19-13(6-11-7-20-9-21-11)16(26)22-14(5-10-1-3-12(25)4-2-10)17(27)23-15(8-24)18(28)29/h1-4,7,9,13-15,24-25H,5-6,8,19H2,(H,20,21)(H,22,26)(H,23,27)(H,28,29)/t13-,14-,15-/m0/s1 |
| SMILES | N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H23N5O6/c19-13(6-11-7-20-9-21-11)16(26)22-14(5-10-1-3-12(25)4-2-10)17(27)23-15(8-24)18(28)29/h1-4,7,9,13-15,24-25H,5-6,8,19H2,(H,20,21)(H,22,26)(H,23,27)(H,28,29)/t13-,14-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:12]([OH:25])=[CH:4][CH:2]=[C:10]1[CH2:5][C@@H:14]([C:17](=[N:23][C@@H:15]([CH2:8][OH:24])[C:18](=[O:28])[OH:29])[OH:27])[N:22]=[C:16]([C@H:13]([CH2:6][C:11]1=[CH:7][N:20]=[CH:9][NH:21]1)[NH2:19])[OH:26] |
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