| Properties | Image |
|---|
| MNX_ID | MNXM106417 |
 |
| reference | chebi:67319 |
| formula | C28H45ClN2O6 |
| global charge | 0 |
| mol weight | 541.129 |
| InChIKey | LCTQNEJUQPJWPJ-LQFFYNKWSA-N |
| InChI | InChI=1S/C28H45ClN2O6/c1-5-6-7-8-10-13-24(36-3)14-11-9-12-15-26(33)30(2)20-22(19-29)16-25(37-4)18-28(35)31-21-23(32)17-27(31)34/h9,11,18-19,23-24,32H,5-8,10,12-17,20-21H2,1-4H3/b11-9+,22-19+,25-18+/t23?,24-/m0/s1 |
| SMILES | CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C/Cl)C/C(=C\C(=O)N1CC(O)CC1=O)OC)OC |
MNX internals
| InChI (mnx) | InChI=1/C28H45ClN2O6/c1-5-6-7-8-10-13-24(36-3)14-11-9-12-15-26(33)30(2)20-22(19-29)16-25(37-4)18-28(35)31-21-23(32)17-27(31)34/h9,11,18-19,23-24,32H,5-8,10,12-17,20-21H2,1-4H3/b11-9+,22-19+,25-18+/t23?,24-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:10][CH2:13][C@@H:24]([CH2:14]/[CH:11]=[CH:9]/[CH2:12][CH2:15][C:26]([N:30]([CH3:2])[CH2:20]/[C:22]([CH2:16]/[C:25](=[CH:18]\[C:28]([N:31]1[CH2:21][CH:23]([OH:32])[CH2:17][C:27]1=[O:34])=[O:35])[O:37][CH3:4])=[CH:19]/[Cl:29])=[O:33])[O:36][CH3:3] |
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