| Properties | Image |
|---|
| MNX_ID | MNXM47849 |
 |
| reference | keggC:C16877 |
| formula | C35H43ClN2O8 |
| global charge | 0 |
| mol weight | 655.188 |
| InChIKey | PSNOPSMXOBPNNV-VVCTWANISA-N |
| InChI | InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22+,26-,27+,29+,31-,32-/m1/s1 |
| SMILES | COC1=CC=C(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3C3=CC=CC=C3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)C=C1Cl |
MNX internals
| InChI (mnx) | InChI=1/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22+,26-,27+,29+,31-,32-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:20]([CH3:2])[CH2:16][C@H:29]1[C:35](=[O:42])[O:44][C@H:27]([C@H:22]([CH3:4])[C@@H:31]2[C@@H:32]([C:24]3=[CH:10][CH:7]=[CH:6][CH:8]=[CH:11]3)[O:46]2)[CH2:12]/[CH:9]=[CH:13]/[C:30]([OH:39])=[N:38]\[C@H:26]([CH2:18][C:23]2=[CH:17][C:25]([Cl:36])=[C:28]([O:43][CH3:5])[CH:15]=[CH:14]2)[C:33]([OH:40])=[N:37][CH2:19][C@@H:21]([CH3:3])[C:34](=[O:41])[O:45]1 |
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