| Properties | Image |
|---|
| MNX_ID | MNXM1192362 |
 |
| reference | envipathM:...9f271e11b49e |
| formula | C33H32FN2O8 |
| global charge | -1 |
| mol weight | 603.623 |
| InChIKey | SRTWFWIIMJWMEJ-UHFFFAOYSA-M |
| InChI | InChI=1S/C33H33FN2O8/c1-33(44,19-37)31-29(32(43)35-23-10-6-3-7-11-23)28(20-8-4-2-5-9-20)30(21-12-14-22(34)15-13-21)36(31)18-26(40)25(39)16-24(38)17-27(41)42/h2-15,19,24-26,38-40,44H,16-18H2,1H3,(H,35,43)(H,41,42)/p-1 |
| SMILES | CC(O)(C=O)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC=C2)=C(C2=CC=C(F)C=C2)N1CC(O)C(O)CC(O)CC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C33H33FN2O8/c1-33(44,19-37)31-29(32(43)35-23-10-6-3-7-11-23)28(20-8-4-2-5-9-20)30(21-12-14-22(34)15-13-21)36(31)18-26(40)25(39)16-24(38)17-27(41)42/h2-15,19,24-26,38-40,44H,16-18H2,1H3,(H,35,43)(H,41,42)/t24?,25?,26?,33? |
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| SMILES (mnx) | [CH3:1][C:33]([CH:19]=[O:37])([C:31]1=[C:29]([C:32](=[N:35][C:23]2=[CH:10][CH:6]=[CH:3][CH:7]=[CH:11]2)[OH:43])[C:28]([C:20]2=[CH:8][CH:4]=[CH:2][CH:5]=[CH:9]2)=[C:30]([C:21]2=[CH:13][CH:15]=[C:22]([F:34])[CH:14]=[CH:12]2)[N:36]1[CH2:18][CH:26]([CH:25]([CH2:16][CH:24]([CH2:17][C:27](=[O:41])[OH:42])[OH:38])[OH:39])[OH:40])[OH:44] |
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