| Properties | Image |
|---|
| MNX_ID | MNXM106415 |
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| reference | chebi:67315 |
| formula | C28H47ClN2O7 |
| global charge | 0 |
| mol weight | 559.144 |
| InChIKey | FGRVZQUFZGRBFK-RBZBVOEWSA-N |
| InChI | InChI=1S/C28H47ClN2O7/c1-5-6-7-8-10-13-25(37-3)14-11-9-12-15-27(35)31(2)21-22(19-29)16-23(32)17-26(34)30-20-24(33)18-28(36)38-4/h9,11,19,24-25,33H,5-8,10,12-18,20-21H2,1-4H3,(H,30,34)/b11-9+,22-19-/t24-,25+/m1/s1 |
| SMILES | CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C\Cl)CC(=O)CC(=O)NC[C@H](O)CC(=O)OC)OC |
MNX internals
| InChI (mnx) | InChI=1/C28H47ClN2O7/c1-5-6-7-8-10-13-25(37-3)14-11-9-12-15-27(35)31(2)21-22(19-29)16-23(32)17-26(34)30-20-24(33)18-28(36)38-4/h9,11,19,24-25,33H,5-8,10,12-18,20-21H2,1-4H3,(H,30,34)/b11-9+,22-19-/t24-,25+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:10][CH2:13][C@@H:25]([CH2:14]/[CH:11]=[CH:9]/[CH2:12][CH2:15][C:27]([N:31]([CH3:2])[CH2:21]/[C:22]([CH2:16][C:23]([CH2:17][C:26](=[N:30][CH2:20][C@@H:24]([CH2:18][C:28](=[O:36])[O:38][CH3:4])[OH:33])[OH:34])=[O:32])=[CH:19]\[Cl:29])=[O:35])[O:37][CH3:3] |
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