| Properties | Image |
|---|
| MNX_ID | MNXM161784 |
 |
| reference | keggD:D10179 |
| formula | C22H26FN5O6 |
| global charge | 0 |
| mol weight | 475.477 |
| InChIKey | OGCNTTUPLQTBJI-XFULWGLBSA-N |
| InChI | InChI=1S/C18H20FN5O2.C4H6O4/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20;5-3(6)1-2-4(7)8/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3;1-2H2,(H,5,6)(H,7,8)/t15-;/m1./s1 |
| SMILES | CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=CC(F)=CC=C2C#N)C1=O.O=C(O)CCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H20FN5O2.C4H6O4/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20;5-3(6)1-2-4(7)8/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3;1-2H2,(H,5,6)(H,7,8)/t15-;/m1./s1 |
 |
| SMILES (mnx) | [CH2:27]([CH2:28][C:30](=[O:33])[OH:34])[C:29](=[O:31])[OH:32].[CH3:1][N:22]1[C:17](=[O:25])[CH:8]=[C:16]([N:23]2[CH2:6][CH2:2][CH2:3][C@@H:15]([NH2:21])[CH2:11]2)[N:24]([CH2:10][C:13]2=[C:12]([C:9]#[N:20])[CH:4]=[CH:5][C:14]([F:19])=[CH:7]2)[C:18]1=[O:26] |
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