| Properties | Image |
|---|
| MNX_ID | MNXM1126529 |
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| reference | chebi:163944 |
| formula | C16H23N7O5 |
| global charge | 0 |
| mol weight | 393.404 |
| InChIKey | XSTGOZBBXFKGHA-YJRXYDGGSA-N |
| InChI | InChI=1S/C16H23N7O5/c1-8(24)13(17)15(26)22-11(2-9-4-18-6-20-9)14(25)23-12(16(27)28)3-10-5-19-7-21-10/h4-8,11-13,24H,2-3,17H2,1H3,(H,18,20)(H,19,21)(H,22,26)(H,23,25)(H,27,28)/t8-,11+,12+,13+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H23N7O5/c1-8(24)13(17)15(26)22-11(2-9-4-18-6-20-9)14(25)23-12(16(27)28)3-10-5-19-7-21-10/h4-8,11-13,24H,2-3,17H2,1H3,(H,18,20)(H,19,21)(H,22,26)(H,23,25)(H,27,28)/t8-,11+,12+,13+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:8]([C@@H:13]([C:15](=[N:22][C@@H:11]([CH2:2][C:9]1=[CH:4][N:18]=[CH:6][NH:20]1)[C:14](=[N:23][C@@H:12]([CH2:3][C:10]1=[CH:5][N:19]=[CH:7][NH:21]1)[C:16](=[O:27])[OH:28])[OH:25])[OH:26])[NH2:17])[OH:24] |
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