| Properties | Image |
|---|
| MNX_ID | MNXM1121739 |
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| reference | chebi:159128 |
| formula | C17H28N6O5 |
| global charge | 0 |
| mol weight | 396.448 |
| InChIKey | BOFAFKVZQUMTID-AVGNSLFASA-N |
| InChI | InChI=1S/C17H28N6O5/c1-9(2)5-11(18)15(25)22-12(3-4-14(19)24)16(26)23-13(17(27)28)6-10-7-20-8-21-10/h7-9,11-13H,3-6,18H2,1-2H3,(H2,19,24)(H,20,21)(H,22,25)(H,23,26)(H,27,28)/t11-,12-,13-/m0/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H28N6O5/c1-9(2)5-11(18)15(25)22-12(3-4-14(19)24)16(26)23-13(17(27)28)6-10-7-20-8-21-10/h7-9,11-13H,3-6,18H2,1-2H3,(H2,19,24)(H,20,21)(H,22,25)(H,23,26)(H,27,28)/t11-,12-,13-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:9]([CH3:2])[CH2:5][C@@H:11]([C:15](=[N:22][C@@H:12]([CH2:3][CH2:4][C:14](=[NH:19])[OH:24])[C:16](=[N:23][C@@H:13]([CH2:6][C:10]1=[CH:7][N:20]=[CH:8][NH:21]1)[C:17](=[O:27])[OH:28])[OH:26])[OH:25])[NH2:18] |
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