beta-homovaline-beta-homoalanine-beta-homoleucine

Properties Image MNX_ID MNXM22512 reference metacycM:CPD-13260 formula C17H33N3O4 global charge 0 mol weight 343.468 InChIKey IUVBKBWWRUPUTB-MELADBBJSA-N InChI InChI=1S/C17H33N3O4/c1-10(2)6-13(8-17(23)24)20-15(21)7-12(5)19-16(22)9-14(18)11(3)4/h10-14H,6-9,18H2,1-5H3,(H,19,22)(H,20,21)(H,23,24)/t12-,13-,14+/m0/s1 SMILES CC(C)C[C@@H](CC(=O)[O-])NC(=O)C[C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C MNX internals InChI (mnx) InChI=1/C17H33N3O4/c1-10(2)6-13(8-17(23)24)20-15(21)7-12(5)19-16(22)9-14(18)11(3)4/h10-14H,6-9,18H2,1-5H3,(H,19,22)(H,20,21)(H,23,24)/t12-,13-,14+/m0/s1 SMILES (mnx) [CH3:1][CH:10]([CH3:2])[CH2:6][C@@H:13]([CH2:8][C:17](=[O:23])[OH:24])[N:20]=[C:15]([CH2:7][C@H:12]([CH3:5])[N:19]=[C:16]([CH2:9][C@H:14]([CH:11]([CH3:3])[CH3:4])[NH2:18])[OH:22])[OH:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0