| Properties | Image |
|---|
| MNX_ID | MNXM1173312 |
 |
| reference | envipathM:...62bfa0da601f |
| formula | C39H32ClF10N7O6S2 |
| global charge | 0 |
| mol weight | 984.295 |
| InChIKey | VYIIRNDXWBLKQW-SXIDADOMSA-N |
| InChI | InChI=1S/C39H32ClF10N7O6S2/c1-35(2,64(3,60)61)10-9-21-5-6-23(22-7-8-26(40)29-30(22)57(17-37(43,44)45)54-34(29)55-65(4,62)63)31(51-21)36(59,15-18-11-19(41)13-20(42)12-18)52-27(58)16-56-33-28(32(53-56)39(48,49)50)24-14-25(24)38(33,46)47/h5-8,11-13,24-25,59H,14-17H2,1-4H3,(H,52,58)(H,54,55)/t24-,25+,36+/m0/s1 |
| SMILES | CC(C)(C#CC1=NC([C@](O)(CC2=CC(F)=CC(F)=C2)NC(=O)CN2N=C(C(F)(F)F)C3=C2C(F)(F)[C@@H]2C[C@H]32)=C(C2=CC=C(Cl)C3=C2N(CC(F)(F)F)N=C3NS(C)(=O)=O)C=C1)S(C)(=O)=O |
MNX internals
| InChI (mnx) | InChI=1/C39H32ClF10N7O6S2/c1-35(2,64(3,60)61)10-9-21-5-6-23(22-7-8-26(40)29-30(22)57(17-37(43,44)45)54-34(29)55-65(4,62)63)31(51-21)36(59,15-18-11-19(41)13-20(42)12-18)52-27(58)16-56-33-28(32(53-56)39(48,49)50)24-14-25(24)38(33,46)47/h5-8,11-13,24-25,59H,14-17H2,1-4H3,(H,52,58)(H,54,55)/t24-,25+,36+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:35]([CH3:2])([C:10]#[C:9][C:21]1=[N:51][C:31]([C@:36]([CH2:15][C:18]2=[CH:11][C:19]([F:41])=[CH:13][C:20]([F:42])=[CH:12]2)([N:52]=[C:27]([CH2:16][N:56]2[C:33]3=[C:28]([C@H:24]4[CH2:14][C@H:25]4[C:38]3([F:46])[F:47])[C:32]([C:39]([F:48])([F:49])[F:50])=[N:53]2)[OH:58])[OH:59])=[C:23]([C:22]2=[C:30]3[C:29](=[C:26]([Cl:40])[CH:8]=[CH:7]2)[C:34]([NH:55][S:65]([CH3:4])(=[O:62])=[O:63])=[N:54][N:57]3[CH2:17][C:37]([F:43])([F:44])[F:45])[CH:6]=[CH:5]1)[S:64]([CH3:3])(=[O:60])=[O:61] |
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