| Properties | Image |
|---|
| MNX_ID | MNXM1120504 |
 |
| reference | chebi:157863 |
| formula | C21H25N7O4 |
| global charge | 0 |
| mol weight | 439.476 |
| InChIKey | VUUFXXGKMPLKNH-BZSNNMDCSA-N |
| InChI | InChI=1S/C21H25N7O4/c22-16(7-14-9-23-11-25-14)19(29)27-17(6-13-4-2-1-3-5-13)20(30)28-18(21(31)32)8-15-10-24-12-26-15/h1-5,9-12,16-18H,6-8,22H2,(H,23,25)(H,24,26)(H,27,29)(H,28,30)(H,31,32)/t16-,17-,18-/m0/s1 |
| SMILES | N[C@@H](CC1=CN=CN1)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/C21H25N7O4/c22-16(7-14-9-23-11-25-14)19(29)27-17(6-13-4-2-1-3-5-13)20(30)28-18(21(31)32)8-15-10-24-12-26-15/h1-5,9-12,16-18H,6-8,22H2,(H,23,25)(H,24,26)(H,27,29)(H,28,30)(H,31,32)/t16-,17-,18-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:13]([CH2:6][C@@H:17]([C:20](=[N:28][C@@H:18]([CH2:8][C:15]2=[CH:10][N:24]=[CH:12][NH:26]2)[C:21](=[O:31])[OH:32])[OH:30])[N:27]=[C:19]([C@H:16]([CH2:7][C:14]2=[CH:9][N:23]=[CH:11][NH:25]2)[NH2:22])[OH:29])[CH:5]=[CH:3]1 |
|