| Properties | Image |
| MNX_ID | MNXM1120561 |
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| reference | chebi:157942 |
| formula | C15H21N7O5 |
| global charge | 0 |
| mol weight | 379.377 |
| InChIKey | DGLAHESNTJWGDO-SRVKXCTJSA-N |
| InChI | InChI=1S/C15H21N7O5/c16-10(1-8-3-17-6-19-8)13(24)22-12(5-23)14(25)21-11(15(26)27)2-9-4-18-7-20-9/h3-4,6-7,10-12,23H,1-2,5,16H2,(H,17,19)(H,18,20)(H,21,25)(H,22,24)(H,26,27)/t10-,11-,12-/m0/s1 |
| SMILES | N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H21N7O5/c16-10(1-8-3-17-6-19-8)13(24)22-12(5-23)14(25)21-11(15(26)27)2-9-4-18-7-20-9/h3-4,6-7,10-12,23H,1-2,5,16H2,(H,17,19)(H,18,20)(H,21,25)(H,22,24)(H,26,27)/t10-,11-,12-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([C:8]1=[CH:3][N:17]=[CH:6][NH:19]1)[C@@H:10]([C:13](=[N:22][C@@H:12]([CH2:5][OH:23])[C:14](=[N:21][C@@H:11]([CH2:2][C:9]1=[CH:4][N:18]=[CH:7][NH:20]1)[C:15](=[O:26])[OH:27])[OH:25])[OH:24])[NH2:16] |
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