| Properties | Image |
|---|
| MNX_ID | MNXM1137983 |
 |
| reference | envipathM:...cabe97d3163b |
| formula | C27H28FN2O7 |
| global charge | -1 |
| mol weight | 511.526 |
| InChIKey | MYCVEVBLQGXGOQ-UHFFFAOYSA-M |
| InChI | InChI=1S/C27H29FN2O7/c1-14(2)23-22(26(29)35)21(18-5-3-4-6-19(18)32)24(15-7-9-16(28)10-8-15)30(23)12-11-17(31)13-20(33)25(34)27(36)37/h3-10,14,17,25,31-32,34H,11-13H2,1-2H3,(H2,29,35)(H,36,37)/p-1 |
| SMILES | CC(C)C1=C(C(N)=O)C(C2=C(O)C=CC=C2)=C(C2=CC=C(F)C=C2)N1CCC(O)CC(=O)C(O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C27H29FN2O7/c1-14(2)23-22(26(29)35)21(18-5-3-4-6-19(18)32)24(15-7-9-16(28)10-8-15)30(23)12-11-17(31)13-20(33)25(34)27(36)37/h3-10,14,17,25,31-32,34H,11-13H2,1-2H3,(H2,29,35)(H,36,37)/t17?,25? |
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| SMILES (mnx) | [CH3:1][CH:14]([CH3:2])[C:23]1=[C:22]([C:26](=[NH:29])[OH:35])[C:21]([C:18]2=[CH:5][CH:3]=[CH:4][CH:6]=[C:19]2[OH:32])=[C:24]([C:15]2=[CH:8][CH:10]=[C:16]([F:28])[CH:9]=[CH:7]2)[N:30]1[CH2:12][CH2:11][CH:17]([CH2:13][C:20]([CH:25]([C:27](=[O:36])[OH:37])[OH:34])=[O:33])[OH:31] |
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