| Properties | Image |
|---|
| MNX_ID | MNXM744413 |
 |
| reference | biggM:2hatvlac |
| formula | C33H33FN2O5 |
| global charge | 0 |
| mol weight | 556.634 |
| InChIKey | MNECBMZJZFGTIK-UHFFFAOYSA-N |
| InChI | InChI=1S/C33H33FN2O5/c1-20(2)31-30(33(40)35-26-10-6-7-11-27(26)38)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-25-18-24(37)19-28(39)41-25/h3-15,20,24-25,37-38H,16-19H2,1-2H3,(H,35,40) |
| SMILES | CC(C)C1=C(C(=O)NC2=CC=CC=C2O)C(C2=CC=CC=C2)=C(C2=CC=C(F)C=C2)N1CCC1CC(O)CC(=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C33H33FN2O5/c1-20(2)31-30(33(40)35-26-10-6-7-11-27(26)38)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-25-18-24(37)19-28(39)41-25/h3-15,20,24-25,37-38H,16-19H2,1-2H3,(H,35,40)/t24?,25? |
 |
| SMILES (mnx) | [CH3:1][CH:20]([CH3:2])[C:31]1=[C:30]([C:33](=[N:35][C:26]2=[CH:10][CH:6]=[CH:7][CH:11]=[C:27]2[OH:38])[OH:40])[C:29]([C:21]2=[CH:8][CH:4]=[CH:3][CH:5]=[CH:9]2)=[C:32]([C:22]2=[CH:13][CH:15]=[C:23]([F:34])[CH:14]=[CH:12]2)[N:36]1[CH2:17][CH2:16][CH:25]1[CH2:18][CH:24]([OH:37])[CH2:19][C:28](=[O:39])[O:41]1 |
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