**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

gsk-3008348

Properties Image MNX_ID MNXM1589818 reference chebi:756656 formula C29H38ClN5O2 global charge 0 mol weight 524.109 InChIKey GCZLVFRSWWTRPH-DYNCTKRQSA-N InChI InChI=1S/C29H37N5O2.ClH/c1-20-15-21(2)34(32-20)27-7-3-5-24(16-27)25(17-28(35)36)19-33-14-12-22(18-33)8-10-26-11-9-23-6-4-13-30-29(23)31-26;/h3,5,7,9,11,15-16,22,25H,4,6,8,10,12-14,17-19H2,1-2H3,(H,30,31)(H,35,36);1H/t22-,25-;/m1./s1 SMILES Cc1cc(C)n(-c2cccc([C@H](CC(=O)O)CN3CC[C@@H](CCc4ccc5c(n4)NCCC5)C3)c2)n1.Cl MNX internals InChI (mnx) InChI=1/C29H37N5O2.ClH/c1-20-15-21(2)34(32-20)27-7-3-5-24(16-27)25(17-28(35)36)19-33-14-12-22(18-33)8-10-26-11-9-23-6-4-13-30-29(23)31-26;/h3,5,7,9,11,15-16,22,25H,4,6,8,10,12-14,17-19H2,1-2H3,(H,30,31)(H,35,36);1H/t22-,25-;/m1./s1 SMILES (mnx) [CH3:1][c:20]1[cH:15][c:21]([CH3:2])[n:34](-[c:27]2[cH:7][cH:3][cH:5][c:24]([C@H:25]([CH2:17][C:28]([OH:35])=[O:36])[CH2:19][N:33]3[CH2:14][CH2:12][C@@H:22]([CH2:8][CH2:10][c:26]4[cH:11][cH:9][c:23]5[c:29]([n:31]4)[NH:30][CH2:13][CH2:4][CH2:6]5)[CH2:18]3)[cH:16]2)[n:32]1.[H][Cl:37]

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
CHEBI:756656 chebi:756656 GCZLVFRSWWTRPH-DYNCTKRQSA-N	gsk-3008348 Gsk-3008348 Gsk3008348 Gsk3008348 monohydrochloride Gsk3008348e