| Properties | Image |
|---|
| MNX_ID | MNXM1126787 |
 |
| reference | chebi:164203 |
| formula | C20H26N4O5 |
| global charge | 0 |
| mol weight | 402.451 |
| InChIKey | IWAVRIPRTCJAQO-HSHDSVGOSA-N |
| InChI | InChI=1S/C20H26N4O5/c1-11(25)17(21)19(27)24-8-4-7-16(24)18(26)23-15(20(28)29)9-12-10-22-14-6-3-2-5-13(12)14/h2-3,5-6,10-11,15-17,22,25H,4,7-9,21H2,1H3,(H,23,26)(H,28,29)/t11-,15+,16+,17+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H26N4O5/c1-11(25)17(21)19(27)24-8-4-7-16(24)18(26)23-15(20(28)29)9-12-10-22-14-6-3-2-5-13(12)14/h2-3,5-6,10-11,15-17,22,25H,4,7-9,21H2,1H3,(H,23,26)(H,28,29)/t11-,15+,16+,17+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:11]([C@@H:17]([C:19]([N:24]1[CH2:8][CH2:4][CH2:7][C@H:16]1[C:18](=[N:23][C@@H:15]([CH2:9][C:12]1=[CH:10][NH:22][C:14]2=[CH:6][CH:3]=[CH:2][CH:5]=[C:13]12)[C:20](=[O:28])[OH:29])[OH:26])=[O:27])[NH2:21])[OH:25] |
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