| Properties | Image |
| MNX_ID | MNXM1120549 |
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| reference | chebi:157930 |
| formula | C13H20N6O6 |
| global charge | 0 |
| mol weight | 356.339 |
| InChIKey | CWSZWFILCNSNEX-CIUDSAMLSA-N |
| InChI | InChI=1S/C13H20N6O6/c14-7(1-6-3-16-5-17-6)11(22)19-9(4-20)12(23)18-8(13(24)25)2-10(15)21/h3,5,7-9,20H,1-2,4,14H2,(H2,15,21)(H,16,17)(H,18,23)(H,19,22)(H,24,25)/t7-,8-,9-/m0/s1 |
| SMILES | NC(=O)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H20N6O6/c14-7(1-6-3-16-5-17-6)11(22)19-9(4-20)12(23)18-8(13(24)25)2-10(15)21/h3,5,7-9,20H,1-2,4,14H2,(H2,15,21)(H,16,17)(H,18,23)(H,19,22)(H,24,25)/t7-,8-,9-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([C:6]1=[CH:3][N:16]=[CH:5][NH:17]1)[C@@H:7]([C:11](=[N:19][C@@H:9]([CH2:4][OH:20])[C:12](=[N:18][C@@H:8]([CH2:2][C:10](=[NH:15])[OH:21])[C:13](=[O:24])[OH:25])[OH:23])[OH:22])[NH2:14] |
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