| Properties | Image |
| MNX_ID | MNXM159229 |
 |
| reference | keggD:D05382 |
| formula | C17H19FN2O7S |
| global charge | 0 |
| mol weight | 414.411 |
| InChIKey | UDHGFPATQWQARM-FJXQXJEOSA-N |
| InChI | InChI=1S/C16H15FN2O4.CH4O3S/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22;1-5(2,3)4/h4-5,7H,2-3,6,18H2,1H3,(H,21,22);1H3,(H,2,3,4)/t7-;/m0./s1 |
| SMILES | CS(=O)(=O)O.C[C@H]1COC2=C(C3(N)CC3)C(F)=CC3=C2N1C=C(C(=O)O)C3=O |
MNX internals
| InChI (mnx) | InChI=1/C16H15FN2O4.CH4O3S/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22;1-5(2,3)4/h4-5,7H,2-3,6,18H2,1H3,(H,21,22);1H3,(H,2,3,4)/t7-;/m0./s1 |
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| SMILES (mnx) | [CH3:1][C@H:7]1[CH2:6][O:23][C:14]2=[C:12]3[C:8](=[CH:4][C:10]([F:17])=[C:11]2[C:16]2([NH2:18])[CH2:2][CH2:3]2)[C:13](=[O:20])[C:9]([C:15](=[O:21])[OH:22])=[CH:5][N:19]13.[CH3:24][S:28]([OH:25])(=[O:26])=[O:27] |
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