| Properties | Image |
|---|
| MNX_ID | MNXM1187002 |
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| reference | envipathM:...fa9240605175 |
| formula | C31H28FN2O6 |
| global charge | -1 |
| mol weight | 543.571 |
| InChIKey | HKESJDOFTKXDMY-UHFFFAOYSA-M |
| InChI | InChI=1S/C31H29FN2O6/c1-31(40,19-35)29-27(30(39)33-23-10-6-3-7-11-23)26(20-8-4-2-5-9-20)28(21-12-14-22(32)15-13-21)34(29)17-16-24(36)18-25(37)38/h2-15,19,24,36,40H,16-18H2,1H3,(H,33,39)(H,37,38)/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)N1CCC(O)CC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C31H29FN2O6/c1-31(40,19-35)29-27(30(39)33-23-10-6-3-7-11-23)26(20-8-4-2-5-9-20)28(21-12-14-22(32)15-13-21)34(29)17-16-24(36)18-25(37)38/h2-15,19,24,36,40H,16-18H2,1H3,(H,33,39)(H,37,38)/t24?,31? |
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| SMILES (mnx) | [CH3:1][C:31]([CH:19]=[O:35])([C:29]1=[C:27]([C:30](=[N:33][C:23]2=[CH:10][CH:6]=[CH:3][CH:7]=[CH:11]2)[OH:39])[C:26]([C:20]2=[CH:8][CH:4]=[CH:2][CH:5]=[CH:9]2)=[C:28]([C:21]2=[CH:13][CH:15]=[C:22]([F:32])[CH:14]=[CH:12]2)[N:34]1[CH2:17][CH2:16][CH:24]([CH2:18][C:25](=[O:37])[OH:38])[OH:36])[OH:40] |
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