| Properties | Image |
|---|
| MNX_ID | MNXM1130204 |
 |
| reference | keggD:D11911 |
| formula | C35H41FN6O7 |
| global charge | 0 |
| mol weight | 676.746 |
| InChIKey | JEJPAGACGZQFHN-JIDHJSLPSA-N |
| InChI | InChI=1S/C31H30FN5O4.C4H11NO3/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24;5-4(1-6,2-7)3-8/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39);6-8H,1-3,5H2/t24-;/m0./s1 |
| SMILES | N#CC1=CC(F)=C(COC2=CC=CC(C3CCN(CC4=NC5=C(C=C(C(=O)O)C=C5)N4C[C@@H]4CCO4)CC3)=N2)C=C1.NC(CO)(CO)CO |
MNX internals
| InChI (mnx) | InChI=1/C31H30FN5O4.C4H11NO3/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24;5-4(1-6,2-7)3-8/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39);6-8H,1-3,5H2/t24-;/m0./s1 |
 |
| SMILES (mnx) | [CH2:42]([C:45]([CH2:43][OH:48])([CH2:44][OH:49])[NH2:46])[OH:47].[CH:1]1=[CH:2][C:26]([CH:21]2[CH2:8][CH2:11][N:36]([CH2:18][C:29]3=[N:34][C:27]4=[C:28]([CH:15]=[C:22]([C:31](=[O:38])[OH:39])[CH:6]=[CH:7]4)[N:37]3[CH2:17][C@@H:24]3[CH2:10][CH2:13][O:40]3)[CH2:12][CH2:9]2)=[N:35][C:30]([O:41][CH2:19][C:23]2=[C:25]([F:32])[CH:14]=[C:20]([C:16]#[N:33])[CH:4]=[CH:5]2)=[CH:3]1 |
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