| Properties | Image |
| MNX_ID | MNXM170837 |
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| reference | chebi:106333 |
| formula | C15H22BrN3O3 |
| global charge | 0 |
| mol weight | 372.263 |
| InChIKey | WOUSVQRWYFHTGE-CWSCBRNRSA-N |
| InChI | InChI=1S/C15H22BrN3O3/c1-9-7-19(10(2)8-20)15(21)12-4-11(16)5-18-14(12)22-13(9)6-17-3/h4-5,9-10,13,17,20H,6-8H2,1-3H3/t9-,10+,13-/m0/s1 |
| SMILES | CNC[C@@H]1OC2=NC=C(Br)C=C2C(=O)N([C@H](C)CO)C[C@@H]1C |
MNX internals
| InChI (mnx) | InChI=1/C15H22BrN3O3/c1-9-7-19(10(2)8-20)15(21)12-4-11(16)5-18-14(12)22-13(9)6-17-3/h4-5,9-10,13,17,20H,6-8H2,1-3H3/t9-,10+,13-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@H:9]1[CH2:7][N:19]([C@H:10]([CH3:2])[CH2:8][OH:20])[C:15](=[O:21])[C:12]2=[C:14]([N:18]=[CH:5][C:11]([Br:16])=[CH:4]2)[O:22][C@H:13]1[CH2:6][NH:17][CH3:3] |
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