| Properties | Image |
|---|
| MNX_ID | MNXM1190512 |
 |
| reference | envipathM:...0c1f6e62f53d |
| formula | C33H32FN2O8 |
| global charge | -1 |
| mol weight | 603.623 |
| InChIKey | OOLMATWOUOWUPI-UHFFFAOYSA-M |
| InChI | InChI=1S/C33H33FN2O8/c1-33(2,44)31-29(32(43)35-22-6-4-3-5-7-22)28(20-10-13-25(39)26(40)16-20)30(19-8-11-21(34)12-9-19)36(31)15-14-23(37)17-24(38)18-27(41)42/h3-13,16,23,37,39-40,44H,14-15,17-18H2,1-2H3,(H,35,43)(H,41,42)/p-1 |
| SMILES | CC(C)(O)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=C(O)C(O)=C2)=C(C2=CC=C(F)C=C2)N1CCC(O)CC(=O)CC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C33H33FN2O8/c1-33(2,44)31-29(32(43)35-22-6-4-3-5-7-22)28(20-10-13-25(39)26(40)16-20)30(19-8-11-21(34)12-9-19)36(31)15-14-23(37)17-24(38)18-27(41)42/h3-13,16,23,37,39-40,44H,14-15,17-18H2,1-2H3,(H,35,43)(H,41,42)/t23? |
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| SMILES (mnx) | [CH3:1][C:33]([CH3:2])([C:31]1=[C:29]([C:32](=[N:35][C:22]2=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]2)[OH:43])[C:28]([C:20]2=[CH:16][C:26]([OH:40])=[C:25]([OH:39])[CH:13]=[CH:10]2)=[C:30]([C:19]2=[CH:9][CH:12]=[C:21]([F:34])[CH:11]=[CH:8]2)[N:36]1[CH2:15][CH2:14][CH:23]([CH2:17][C:24]([CH2:18][C:27](=[O:41])[OH:42])=[O:38])[OH:37])[OH:44] |
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