| Properties | Image |
|---|
| MNX_ID | MNXM1176543 |
 |
| reference | envipathM:...19aa0933318b |
| formula | C26H26ClN5O8 |
| global charge | 0 |
| mol weight | 571.974 |
| InChIKey | IVQIMXCYXOZINK-UHFFFAOYSA-N |
| InChI | InChI=1S/C26H26ClN5O8/c1-5-31(6-2)26(39)40-24-20(17(11-33)29-30(24)4)21(35)14-7-8-16-19(12(14)3)23(37)32(25(38)28-16)13-9-15(27)22(36)18(34)10-13/h7-10,33-34,36H,5-6,11H2,1-4H3,(H,28,38) |
| SMILES | CCN(CC)C(=O)OC1=C(C(=O)C2=CC=C3NC(=O)N(C4=CC(O)=C(O)C(Cl)=C4)C(=O)C3=C2C)C(CO)=NN1C |
MNX internals
| InChI (mnx) | InChI=1/C26H26ClN5O8/c1-5-31(6-2)26(39)40-24-20(17(11-33)29-30(24)4)21(35)14-7-8-16-19(12(14)3)23(37)32(25(38)28-16)13-9-15(27)22(36)18(34)10-13/h7-10,33-34,36H,5-6,11H2,1-4H3,(H,28,38) |
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| SMILES (mnx) | [CH3:1][CH2:5][N:31]([CH2:6][CH3:2])[C:26](=[O:39])[O:40][C:24]1=[C:20]([C:21]([C:14]2=[C:12]([CH3:3])[C:19]3=[C:16]([CH:8]=[CH:7]2)[N:28]=[C:25]([OH:38])[N:32]([C:13]2=[CH:9][C:15]([Cl:27])=[C:22]([OH:36])[C:18]([OH:34])=[CH:10]2)[C:23]3=[O:37])=[O:35])[C:17]([CH2:11][OH:33])=[N:29][N:30]1[CH3:4] |
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