| Properties | Image |
|---|
| MNX_ID | MNXM1120722 |
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| reference | chebi:158103 |
| formula | C17H25N7O4 |
| global charge | 0 |
| mol weight | 391.432 |
| InChIKey | CKONPJHGMIDMJP-IHRRRGAJSA-N |
| InChI | InChI=1S/C17H25N7O4/c1-9(2)14(24-15(25)12(18)3-10-5-19-7-21-10)16(26)23-13(17(27)28)4-11-6-20-8-22-11/h5-9,12-14H,3-4,18H2,1-2H3,(H,19,21)(H,20,22)(H,23,26)(H,24,25)(H,27,28)/t12-,13-,14-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H25N7O4/c1-9(2)14(24-15(25)12(18)3-10-5-19-7-21-10)16(26)23-13(17(27)28)4-11-6-20-8-22-11/h5-9,12-14H,3-4,18H2,1-2H3,(H,19,21)(H,20,22)(H,23,26)(H,24,25)(H,27,28)/t12-,13-,14-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:9]([CH3:2])[C@@H:14]([C:16](=[N:23][C@@H:13]([CH2:4][C:11]1=[CH:6][N:20]=[CH:8][NH:22]1)[C:17](=[O:27])[OH:28])[OH:26])[N:24]=[C:15]([C@H:12]([CH2:3][C:10]1=[CH:5][N:19]=[CH:7][NH:21]1)[NH2:18])[OH:25] |
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