| Properties | Image |
|---|
| MNX_ID | MNXM1189500 |
 |
| reference | envipathM:...303a7699a1c3 |
| formula | C31H39FN4O10 |
| global charge | 0 |
| mol weight | 646.669 |
| InChIKey | VYRMMYSHUYLYTL-BJDNDVLHSA-N |
| InChI | InChI=1S/C31H39FN4O10/c1-14(38)35-8-4-5-16-10-34(12-21(16)35)25-20(32)9-18-24(29(25)44-3)36(17-6-7-17)11-19(26(18)40)30(42)33-23-27(41)28(45-15(2)39)22(13-37)46-31(23)43/h9,11,16-17,21-23,27-28,31,37,41,43H,4-8,10,12-13H2,1-3H3,(H,33,42)/t16?,21?,22-,23-,27+,28?,31-/m0/s1 |
| SMILES | COC1=C(N2CC3CCCN(C(C)=O)C3C2)C(F)=CC2=C1N(C1CC1)C=C(C(=O)N[C@@H]1[C@@H](O)O[C@@H](CO)C(OC(C)=O)[C@@H]1O)C2=O |
MNX internals
| InChI (mnx) | InChI=1/C31H39FN4O10/c1-14(38)35-8-4-5-16-10-34(12-21(16)35)25-20(32)9-18-24(29(25)44-3)36(17-6-7-17)11-19(26(18)40)30(42)33-23-27(41)28(45-15(2)39)22(13-37)46-31(23)43/h9,11,16-17,21-23,27-28,31,37,41,43H,4-8,10,12-13H2,1-3H3,(H,33,42)/t16?,21?,22-,23-,27+,28?,31-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:14]([N:35]1[CH2:8][CH2:4][CH2:5][CH:16]2[CH2:10][N:34]([C:25]3=[C:20]([F:32])[CH:9]=[C:18]4[C:24](=[C:29]3[O:44][CH3:3])[N:36]([CH:17]3[CH2:6][CH2:7]3)[CH:11]=[C:19]([C:30](=[N:33][C@H:23]3[C@@H:27]([OH:41])[CH:28]([O:45][C:15]([CH3:2])=[O:39])[C@H:22]([CH2:13][OH:37])[O:46][C@@H:31]3[OH:43])[OH:42])[C:26]4=[O:40])[CH2:12][CH:21]21)=[O:38] |
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