| Properties | Image |
|---|
| MNX_ID | MNXM1127376 |
 |
| reference | chebi:164801 |
| formula | C26H28N6O4 |
| global charge | 0 |
| mol weight | 488.548 |
| InChIKey | VUMCLPHXCBIJJB-PMVMPFDFSA-N |
| InChI | InChI=1S/C26H28N6O4/c27-20(11-17-13-29-21-9-5-4-8-19(17)21)24(33)31-22(10-16-6-2-1-3-7-16)25(34)32-23(26(35)36)12-18-14-28-15-30-18/h1-9,13-15,20,22-23,29H,10-12,27H2,(H,28,30)(H,31,33)(H,32,34)(H,35,36)/t20-,22-,23-/m0/s1 |
| SMILES | N[C@@H](CC1=CNC2=C1C=CC=C2)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/C26H28N6O4/c27-20(11-17-13-29-21-9-5-4-8-19(17)21)24(33)31-22(10-16-6-2-1-3-7-16)25(34)32-23(26(35)36)12-18-14-28-15-30-18/h1-9,13-15,20,22-23,29H,10-12,27H2,(H,28,30)(H,31,33)(H,32,34)(H,35,36)/t20-,22-,23-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:16]([CH2:10][C@@H:22]([C:25](=[N:32][C@@H:23]([CH2:12][C:18]2=[CH:14][N:28]=[CH:15][NH:30]2)[C:26](=[O:35])[OH:36])[OH:34])[N:31]=[C:24]([C@H:20]([CH2:11][C:17]2=[CH:13][NH:29][C:21]3=[CH:9][CH:5]=[CH:4][CH:8]=[C:19]23)[NH2:27])[OH:33])[CH:7]=[CH:3]1 |
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