| Properties | Image |
|---|
| MNX_ID | MNXM1187330 |
 |
| reference | envipathM:...432a26678982 |
| formula | C26H26ClN5O8 |
| global charge | 0 |
| mol weight | 571.974 |
| InChIKey | ODLHXAPZDASYPG-UHFFFAOYSA-N |
| InChI | InChI=1S/C26H26ClN5O8/c1-6-31(7-2)26(39)40-24-18(12(4)29-30(24)5)20(34)13-8-9-15-17(11(13)3)23(37)32(25(38)28-15)19-21(35)14(27)10-16(33)22(19)36/h8-10,33,35-36H,6-7H2,1-5H3,(H,28,38) |
| SMILES | CCN(CC)C(=O)OC1=C(C(=O)C2=CC=C3NC(=O)N(C4=C(O)C(O)=CC(Cl)=C4O)C(=O)C3=C2C)C(C)=NN1C |
MNX internals
| InChI (mnx) | InChI=1/C26H26ClN5O8/c1-6-31(7-2)26(39)40-24-18(12(4)29-30(24)5)20(34)13-8-9-15-17(11(13)3)23(37)32(25(38)28-15)19-21(35)14(27)10-16(33)22(19)36/h8-10,33,35-36H,6-7H2,1-5H3,(H,28,38) |
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| SMILES (mnx) | [CH3:1][CH2:6][N:31]([CH2:7][CH3:2])[C:26](=[O:39])[O:40][C:24]1=[C:18]([C:20]([C:13]2=[C:11]([CH3:3])[C:17]3=[C:15]([CH:9]=[CH:8]2)[N:28]=[C:25]([OH:38])[N:32]([C:19]2=[C:21]([OH:35])[C:14]([Cl:27])=[CH:10][C:16]([OH:33])=[C:22]2[OH:36])[C:23]3=[O:37])=[O:34])[C:12]([CH3:4])=[N:29][N:30]1[CH3:5] |
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