| Properties | Image |
|---|
| MNX_ID | MNXM1130132 |
 |
| reference | keggD:D11741 |
| formula | C27H34ClN5O3 |
| global charge | 0 |
| mol weight | 512.054 |
| InChIKey | DWKNOLCXIFYNFV-HSZRJFAPSA-N |
| InChI | InChI=1S/C27H34ClN5O3/c1-17-13-19(5-6-22(17)28)16-32-11-9-21(10-12-32)33-23(7-8-25(33)34)26(35)30-24-15-20(14-18(2)29-24)27(36)31(3)4/h5-6,13-15,21,23H,7-12,16H2,1-4H3,(H,29,30,35)/t23-/m1/s1 |
| SMILES | CC1=CC(C(=O)N(C)C)=CC(NC(=O)[C@H]2CCC(=O)N2C2CCN(CC3=CC=C(Cl)C(C)=C3)CC2)=N1 |
MNX internals
| InChI (mnx) | InChI=1/C27H34ClN5O3/c1-17-13-19(5-6-22(17)28)16-32-11-9-21(10-12-32)33-23(7-8-25(33)34)26(35)30-24-15-20(14-18(2)29-24)27(36)31(3)4/h5-6,13-15,21,23H,7-12,16H2,1-4H3,(H,29,30,35)/t23-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:17]1=[C:22]([Cl:28])[CH:6]=[CH:5][C:19]([CH2:16][N:32]2[CH2:11][CH2:9][CH:21]([N:33]3[C@@H:23]([C:26](=[N:30][C:24]4=[N:29][C:18]([CH3:2])=[CH:14][C:20]([C:27]([N:31]([CH3:3])[CH3:4])=[O:36])=[CH:15]4)[OH:35])[CH2:7][CH2:8][C:25]3=[O:34])[CH2:10][CH2:12]2)=[CH:13]1 |
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