| Properties | Image |
|---|
| MNX_ID | MNXM1182033 |
 |
| reference | envipathM:...24b28900b195 |
| formula | C33H41FN4O12 |
| global charge | 0 |
| mol weight | 704.705 |
| InChIKey | HRPYMYKUIBBJRO-SGWTZVFQSA-N |
| InChI | InChI=1S/C33H41FN4O12/c1-15(40)47-14-24-30(48-16(2)41)29(44)26(33(50-24)49-17(3)42)37-32(45)21-12-38(19-7-8-19)27-20(28(21)43)10-22(34)25(31(27)46-4)36-11-23-18(13-39)6-5-9-35-23/h10,12-13,18-19,23-24,26,29-30,33,35-36,44H,5-9,11,14H2,1-4H3,(H,37,45)/t18?,23?,24-,26-,29+,30?,33-/m0/s1 |
| SMILES | COC1=C(NCC2NCCCC2C=O)C(F)=CC2=C1N(C1CC1)C=C(C(=O)N[C@@H]1[C@@H](OC(C)=O)O[C@@H](COC(C)=O)C(OC(C)=O)[C@@H]1O)C2=O |
MNX internals
| InChI (mnx) | InChI=1/C33H41FN4O12/c1-15(40)47-14-24-30(48-16(2)41)29(44)26(33(50-24)49-17(3)42)37-32(45)21-12-38(19-7-8-19)27-20(28(21)43)10-22(34)25(31(27)46-4)36-11-23-18(13-39)6-5-9-35-23/h10,12-13,18-19,23-24,26,29-30,33,35-36,44H,5-9,11,14H2,1-4H3,(H,37,45)/t18?,23?,24-,26-,29+,30?,33-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:15](=[O:40])[O:47][CH2:14][C@H:24]1[CH:30]([O:48][C:16]([CH3:2])=[O:41])[C@H:29]([OH:44])[C@H:26]([N:37]=[C:32]([C:21]2=[CH:12][N:38]([CH:19]3[CH2:7][CH2:8]3)[C:27]3=[C:31]([O:46][CH3:4])[C:25]([NH:36][CH2:11][CH:23]4[CH:18]([CH:13]=[O:39])[CH2:6][CH2:5][CH2:9][NH:35]4)=[C:22]([F:34])[CH:10]=[C:20]3[C:28]2=[O:43])[OH:45])[C@@H:33]([O:49][C:17]([CH3:3])=[O:42])[O:50]1 |
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