| Properties | Image |
|---|
| MNX_ID | MNXM1192782 |
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| reference | envipathM:...8c2b489a02dd |
| formula | C26H26ClN5O7 |
| global charge | 0 |
| mol weight | 555.975 |
| InChIKey | TVKVKBZLLITOIX-UHFFFAOYSA-N |
| InChI | InChI=1S/C26H26ClN5O7/c1-6-31(7-2)26(38)39-24-18(13(4)29-30(24)5)20(33)17-12(3)16-19(22(35)21(17)34)28-25(37)32(23(16)36)15-10-8-9-14(27)11-15/h8-11,34-35H,6-7H2,1-5H3,(H,28,37) |
| SMILES | CCN(CC)C(=O)OC1=C(C(=O)C2=C(C)C3=C(NC(=O)N(C4=CC(Cl)=CC=C4)C3=O)C(O)=C2O)C(C)=NN1C |
MNX internals
| InChI (mnx) | InChI=1/C26H26ClN5O7/c1-6-31(7-2)26(38)39-24-18(13(4)29-30(24)5)20(33)17-12(3)16-19(22(35)21(17)34)28-25(37)32(23(16)36)15-10-8-9-14(27)11-15/h8-11,34-35H,6-7H2,1-5H3,(H,28,37) |
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| SMILES (mnx) | [CH3:1][CH2:6][N:31]([CH2:7][CH3:2])[C:26](=[O:38])[O:39][C:24]1=[C:18]([C:20]([C:17]2=[C:21]([OH:34])[C:22]([OH:35])=[C:19]3[C:16](=[C:12]2[CH3:3])[C:23](=[O:36])[N:32]([C:15]2=[CH:10][CH:8]=[CH:9][C:14]([Cl:27])=[CH:11]2)[C:25]([OH:37])=[N:28]3)=[O:33])[C:13]([CH3:4])=[N:29][N:30]1[CH3:5] |
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