| Properties | Image |
|---|
| MNX_ID | MNXM1120699 |
 |
| reference | chebi:158080 |
| formula | C26H28N6O5 |
| global charge | 0 |
| mol weight | 504.547 |
| InChIKey | MUENHEQLLUDKSC-PMVMPFDFSA-N |
| InChI | InChI=1S/C26H28N6O5/c27-20(11-17-13-28-14-30-17)24(34)31-22(9-15-5-7-18(33)8-6-15)25(35)32-23(26(36)37)10-16-12-29-21-4-2-1-3-19(16)21/h1-8,12-14,20,22-23,29,33H,9-11,27H2,(H,28,30)(H,31,34)(H,32,35)(H,36,37)/t20-,22-,23-/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](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C26H28N6O5/c27-20(11-17-13-28-14-30-17)24(34)31-22(9-15-5-7-18(33)8-6-15)25(35)32-23(26(36)37)10-16-12-29-21-4-2-1-3-19(16)21/h1-8,12-14,20,22-23,29,33H,9-11,27H2,(H,28,30)(H,31,34)(H,32,35)(H,36,37)/t20-,22-,23-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:21]2[C:19](=[CH:3]1)[C:16]([CH2:10][C@@H:23]([C:26](=[O:36])[OH:37])[N:32]=[C:25]([C@H:22]([CH2:9][C:15]1=[CH:6][CH:8]=[C:18]([OH:33])[CH:7]=[CH:5]1)[N:31]=[C:24]([C@H:20]([CH2:11][C:17]1=[CH:13][N:28]=[CH:14][NH:30]1)[NH2:27])[OH:34])[OH:35])=[CH:12][NH:29]2 |
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