| Properties | Image |
MNX_ID | MNXM341367 |
 |
reference | chebi:124908 |
formula | C28H36F3N5O5 |
global charge | 0 |
mol weight | 579.62 |
InChIKey | GUUFQQDCAZBWHX-QZTZHPFYSA-N |
InChI | InChI=1S/C28H36F3N5O5/c1-16(2)32-27(40)35(5)14-24-17(3)13-36(18(4)15-37)25(38)22-12-21(10-11-23(22)41-24)34-26(39)33-20-8-6-19(7-9-20)28(29,30)31/h6-12,16-18,24,37H,13-15H2,1-5H3,(H,32,40)(H2,33,34,39)/t17-,18-,24-/m1/s1 |
SMILES | CC(C)NC(=O)N(C)C[C@H]1OC2=C(C=C(NC(=O)NC3=CC=C(C(F)(F)F)C=C3)C=C2)C(=O)N([C@H](C)CO)C[C@H]1C |
MNX internals
InChI (mnx) | InChI=1/C28H36F3N5O5/c1-16(2)32-27(40)35(5)14-24-17(3)13-36(18(4)15-37)25(38)22-12-21(10-11-23(22)41-24)34-26(39)33-20-8-6-19(7-9-20)28(29,30)31/h6-12,16-18,24,37H,13-15H2,1-5H3,(H,32,40)(H2,33,34,39)/t17-,18-,24-/m1/s1 |
 |
SMILES (mnx) | [CH3:1][CH:16]([CH3:2])[N:32]=[C:27]([N:35]([CH3:5])[CH2:14][C@@H:24]1[C@H:17]([CH3:3])[CH2:13][N:36]([C@H:18]([CH3:4])[CH2:15][OH:37])[C:25](=[O:38])[C:22]2=[C:23]([CH:11]=[CH:10][C:21]([N:34]=[C:26]([NH:33][C:20]3=[CH:9][CH:7]=[C:19]([C:28]([F:29])([F:30])[F:31])[CH:6]=[CH:8]3)[OH:39])=[CH:12]2)[O:41]1)[OH:40] |
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