6-(6-{3-[(progesterone-4-yl)thiopropionyl]aminohexanoyl}amino)hexanoic acid

Properties Image MNX_ID MNXM38510 reference chebi:62025 formula C36H56N2O6S global charge 0 mol weight 644.919 InChIKey NOHRZHUXQCKVEO-WNAGJTSSSA-N InChI InChI=1S/C36H56N2O6S/c1-24(39)26-14-15-27-25-12-13-29-34(30(40)17-20-36(29,3)28(25)16-19-35(26,27)2)45-23-18-32(42)38-22-8-4-6-10-31(41)37-21-9-5-7-11-33(43)44/h25-28H,4-23H2,1-3H3,(H,37,41)(H,38,42)(H,43,44)/t25-,26+,27-,28-,35+,36+/m0/s1 SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C(SCCC(=O)NCCCCCC(=O)NCCCCCC(=O)O)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C36H56N2O6S/c1-24(39)26-14-15-27-25-12-13-29-34(30(40)17-20-36(29,3)28(25)16-19-35(26,27)2)45-23-18-32(42)38-22-8-4-6-10-31(41)37-21-9-5-7-11-33(43)44/h25-28H,4-23H2,1-3H3,(H,37,41)(H,38,42)(H,43,44)/t25-,26+,27-,28-,35+,36+/m0/s1 SMILES (mnx) [CH3:1][C:24]([C@H:26]1[CH2:14][CH2:15][C@H:27]2[C@@H:25]3[CH2:12][CH2:13][C:29]4=[C:34]([S:45][CH2:23][CH2:18][C:32](=[N:38][CH2:22][CH2:8][CH2:4][CH2:6][CH2:10][C:31](=[N:37][CH2:21][CH2:9][CH2:5][CH2:7][CH2:11][C:33](=[O:43])[OH:44])[OH:41])[OH:42])[C:30](=[O:40])[CH2:17][CH2:20][C@:36]4([CH3:3])[C@H:28]3[CH2:16][CH2:19][C@:35]12[CH3:2])=[O:39]

Parent-child relations graph

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