Ile-Asp-Met

Properties Image MNX_ID MNXM1120886 reference chebi:158272 formula C15H27N3O6S global charge 0 mol weight 377.463 InChIKey CCHSQWLCOOZREA-GMOBBJLQSA-N InChI InChI=1S/C15H27N3O6S/c1-4-8(2)12(16)14(22)18-10(7-11(19)20)13(21)17-9(15(23)24)5-6-25-3/h8-10,12H,4-7,16H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)/t8-,9-,10-,12-/m0/s1 SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)O MNX internals InChI (mnx) InChI=1/C15H27N3O6S/c1-4-8(2)12(16)14(22)18-10(7-11(19)20)13(21)17-9(15(23)24)5-6-25-3/h8-10,12H,4-7,16H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)/t8-,9-,10-,12-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][C@H:8]([CH3:2])[C@@H:12]([C:14](=[N:18][C@@H:10]([CH2:7][C:11](=[O:19])[OH:20])[C:13](=[N:17][C@@H:9]([CH2:5][CH2:6][S:25][CH3:3])[C:15](=[O:23])[OH:24])[OH:21])[OH:22])[NH2:16]

Parent-child relations graph

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