| Properties | Image |
|---|
| MNX_ID | MNXM1171046 |
 |
| reference | envipathM:...3f88c27dfbad |
| formula | C26H26ClN4O9 |
| global charge | -1 |
| mol weight | 573.966 |
| InChIKey | AYGKPUCIHJQIOK-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H27ClN4O9/c1-5-30(9-10-32)26(39)40-24-20(14(3)28-29(24)4)21(34)17-12-18(33)22(35)19(13(17)2)23(36)31(25(37)38)16-8-6-7-15(27)11-16/h6-8,11-12,32-33,35H,5,9-10H2,1-4H3,(H,37,38)/p-1 |
| SMILES | CCN(CCO)C(=O)OC1=C(C(=O)C2=C(C)C(C(=O)N(C(=O)[O-])C3=CC(Cl)=CC=C3)=C(O)C(O)=C2)C(C)=NN1C |
MNX internals
| InChI (mnx) | InChI=1/C26H27ClN4O9/c1-5-30(9-10-32)26(39)40-24-20(14(3)28-29(24)4)21(34)17-12-18(33)22(35)19(13(17)2)23(36)31(25(37)38)16-8-6-7-15(27)11-16/h6-8,11-12,32-33,35H,5,9-10H2,1-4H3,(H,37,38) |
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| SMILES (mnx) | [CH3:1][CH2:5][N:30]([CH2:9][CH2:10][OH:32])[C:26](=[O:39])[O:40][C:24]1=[C:20]([C:21]([C:17]2=[CH:12][C:18]([OH:33])=[C:22]([OH:35])[C:19]([C:23]([N:31]([C:16]3=[CH:8][CH:6]=[CH:7][C:15]([Cl:27])=[CH:11]3)[C:25](=[O:37])[OH:38])=[O:36])=[C:13]2[CH3:2])=[O:34])[C:14]([CH3:3])=[N:28][N:29]1[CH3:4] |
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