| Properties | Image |
|---|
| MNX_ID | MNXM1123403 |
 |
| reference | chebi:160804 |
| formula | C19H23N5O6 |
| global charge | 0 |
| mol weight | 417.422 |
| InChIKey | KRQFMDNIUOVRIF-KKUMJFAQSA-N |
| InChI | InChI=1S/C19H23N5O6/c20-13(8-16(25)26)17(27)23-14(6-11-4-2-1-3-5-11)18(28)24-15(19(29)30)7-12-9-21-10-22-12/h1-5,9-10,13-15H,6-8,20H2,(H,21,22)(H,23,27)(H,24,28)(H,25,26)(H,29,30)/t13-,14-,15-/m0/s1 |
| SMILES | N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H23N5O6/c20-13(8-16(25)26)17(27)23-14(6-11-4-2-1-3-5-11)18(28)24-15(19(29)30)7-12-9-21-10-22-12/h1-5,9-10,13-15H,6-8,20H2,(H,21,22)(H,23,27)(H,24,28)(H,25,26)(H,29,30)/t13-,14-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:11]([CH2:6][C@@H:14]([C:18](=[N:24][C@@H:15]([CH2:7][C:12]2=[CH:9][N:21]=[CH:10][NH:22]2)[C:19](=[O:29])[OH:30])[OH:28])[N:23]=[C:17]([C@H:13]([CH2:8][C:16](=[O:25])[OH:26])[NH2:20])[OH:27])[CH:5]=[CH:3]1 |
|