| Properties | Image |
|---|
| MNX_ID | MNXM1170631 |
 |
| reference | envipathM:...decc926d670d |
| formula | C21H20FN4O5 |
| global charge | -1 |
| mol weight | 427.412 |
| InChIKey | UKCXSYZYDOLNDH-UHFFFAOYSA-M |
| InChI | InChI=1S/C21H21FN4O5/c22-14-6-12-18(26(11-3-4-11)20(29)16(19(12)28)21(30)31)13(7-23)17(14)25-8-10-2-1-5-24-15(10)9-27/h6,9-11,15,24-25,29H,1-5,8H2,(H,30,31)/p-1 |
| SMILES | N#CC1=C(NCC2CCCNC2C=O)C(F)=CC2=C1N(C1CC1)C(O)=C(C(=O)[O-])C2=O |
MNX internals
| InChI (mnx) | InChI=1/C21H21FN4O5/c22-14-6-12-18(26(11-3-4-11)20(29)16(19(12)28)21(30)31)13(7-23)17(14)25-8-10-2-1-5-24-15(10)9-27/h6,9-11,15,24-25,29H,1-5,8H2,(H,30,31)/t10?,15? |
 |
| SMILES (mnx) | [CH2:1]1[CH2:2][CH:10]([CH2:8][NH:25][C:17]2=[C:14]([F:22])[CH:6]=[C:12]3[C:18](=[C:13]2[C:7]#[N:23])[N:26]([CH:11]2[CH2:3][CH2:4]2)[C:20]([OH:29])=[C:16]([C:21](=[O:30])[OH:31])[C:19]3=[O:28])[CH:15]([CH:9]=[O:27])[NH:24][CH2:5]1 |
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