Ile-Val-Asp

Properties Image MNX_ID MNXM1121507 reference chebi:158895 formula C15H27N3O6 global charge 0 mol weight 345.396 InChIKey BCISUQVFDGYZBO-QSFUFRPTSA-N InChI InChI=1S/C15H27N3O6/c1-5-8(4)11(16)13(21)18-12(7(2)3)14(22)17-9(15(23)24)6-10(19)20/h7-9,11-12H,5-6,16H2,1-4H3,(H,17,22)(H,18,21)(H,19,20)(H,23,24)/t8-,9-,11-,12-/m0/s1 SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C MNX internals InChI (mnx) InChI=1/C15H27N3O6/c1-5-8(4)11(16)13(21)18-12(7(2)3)14(22)17-9(15(23)24)6-10(19)20/h7-9,11-12H,5-6,16H2,1-4H3,(H,17,22)(H,18,21)(H,19,20)(H,23,24)/t8-,9-,11-,12-/m0/s1 SMILES (mnx) [CH3:1][CH2:5][C@H:8]([CH3:4])[C@@H:11]([C:13](=[N:18][C@@H:12]([CH:7]([CH3:2])[CH3:3])[C:14](=[N:17][C@@H:9]([CH2:6][C:10](=[O:19])[OH:20])[C:15](=[O:23])[OH:24])[OH:22])[OH:21])[NH2:16]

Parent-child relations graph

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