3-[2-(2,6-dichlorophenyl)-6-quinolyl]-N-{[(S)-1-mesyl-2-piperidyl]carbonyl}-L-alanine

Properties Image MNX_ID MNXM36280 reference chebi:48461 formula C25H25Cl2N3O5S global charge 0 mol weight 550.464 InChIKey ITYAUIOZSQYJNF-VXKWHMMOSA-N InChI InChI=1S/C25H25Cl2N3O5S/c1-36(34,35)30-12-3-2-7-22(30)24(31)29-21(25(32)33)14-15-8-10-19-16(13-15)9-11-20(28-19)23-17(26)5-4-6-18(23)27/h4-6,8-11,13,21-22H,2-3,7,12,14H2,1H3,(H,29,31)(H,32,33)/t21-,22-/m0/s1 SMILES CS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@@H](CC1=CC2=CC=C(C3=C(Cl)C=CC=C3Cl)N=C2C=C1)C(=O)O MNX internals InChI (mnx) InChI=1/C25H25Cl2N3O5S/c1-36(34,35)30-12-3-2-7-22(30)24(31)29-21(25(32)33)14-15-8-10-19-16(13-15)9-11-20(28-19)23-17(26)5-4-6-18(23)27/h4-6,8-11,13,21-22H,2-3,7,12,14H2,1H3,(H,29,31)(H,32,33)/t21-,22-/m0/s1 SMILES (mnx) [CH3:1][S:36]([N:30]1[CH2:12][CH2:3][CH2:2][CH2:7][C@H:22]1[C:24](=[N:29][C@@H:21]([CH2:14][C:15]1=[CH:13][C:16]2=[C:19]([CH:10]=[CH:8]1)[N:28]=[C:20]([C:23]1=[C:17]([Cl:26])[CH:5]=[CH:4][CH:6]=[C:18]1[Cl:27])[CH:11]=[CH:9]2)[C:25](=[O:32])[OH:33])[OH:31])(=[O:34])=[O:35]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0