| Properties | Image |
|---|
| MNX_ID | MNXM1120676 |
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| reference | chebi:158057 |
| formula | C20H26N6O6 |
| global charge | 0 |
| mol weight | 446.464 |
| InChIKey | WSWAUVHXQREQQG-JYJNAYRXSA-N |
| InChI | InChI=1S/C20H26N6O6/c21-14(8-12-9-23-10-24-12)18(29)26-16(7-11-1-3-13(27)4-2-11)19(30)25-15(20(31)32)5-6-17(22)28/h1-4,9-10,14-16,27H,5-8,21H2,(H2,22,28)(H,23,24)(H,25,30)(H,26,29)(H,31,32)/t14-,15-,16-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H26N6O6/c21-14(8-12-9-23-10-24-12)18(29)26-16(7-11-1-3-13(27)4-2-11)19(30)25-15(20(31)32)5-6-17(22)28/h1-4,9-10,14-16,27H,5-8,21H2,(H2,22,28)(H,23,24)(H,25,30)(H,26,29)(H,31,32)/t14-,15-,16-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:3][C:13]([OH:27])=[CH:4][CH:2]=[C:11]1[CH2:7][C@@H:16]([C:19](=[N:25][C@@H:15]([CH2:5][CH2:6][C:17](=[NH:22])[OH:28])[C:20](=[O:31])[OH:32])[OH:30])[N:26]=[C:18]([C@H:14]([CH2:8][C:12]1=[CH:9][N:23]=[CH:10][NH:24]1)[NH2:21])[OH:29] |
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