| Properties | Image |
|---|
| MNX_ID | MNXM12388 |
 |
| reference | chebi:138882 |
| formula | C31H41ClN2O8 |
| global charge | 0 |
| mol weight | 605.128 |
| InChIKey | DLTOOYADBZDSAS-OBOKIMRTSA-N |
| InChI | InChI=1S/C31H41ClN2O8/c1-17(2)29(36)41-23-15-27(35)33-22-13-21(14-24(39-6)28(22)32)11-18(3)9-8-10-26(40-7)31(38)16-25(42-30(37)34-31)20(5)12-19(23)4/h8-10,12-14,17,20,23,25-26,38H,11,15-16H2,1-7H3,(H,33,35)(H,34,37)/b10-8+,18-9+,19-12+/t20-,23-,25-,26+,31-/m0/s1 |
| SMILES | COC1=CC2=CC(=C1Cl)NC(=O)C[C@H](OC(=O)C(C)C)/C(C)=C/[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 |
MNX internals
| InChI (mnx) | InChI=1/C31H41ClN2O8/c1-17(2)29(36)41-23-15-27(35)33-22-13-21(14-24(39-6)28(22)32)11-18(3)9-8-10-26(40-7)31(38)16-25(42-30(37)34-31)20(5)12-19(23)4/h8-10,12-14,17,20,23,25-26,38H,11,15-16H2,1-7H3,(H,33,35)(H,34,37)/b10-8+,18-9+,19-12+/t20-,23-,25-,26+,31-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:17]([CH3:2])[C:29](=[O:36])[O:41][C@H:23]1[CH2:15][C:27]([OH:35])=[N:33][C:22]2=[C:28]([Cl:32])[C:24]([O:39][CH3:6])=[CH:14][C:21](=[CH:13]2)[CH2:11]/[C:18]([CH3:3])=[CH:9]/[CH:8]=[CH:10]/[C@@H:26]([O:40][CH3:7])[C@@:31]2([OH:38])[CH2:16][C@@H:25]([C@@H:20]([CH3:5])/[CH:12]=[C:19]/1[CH3:4])[O:42][C:30]([OH:37])=[N:34]2 |
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