Ile-Ala-Tyr

Properties Image MNX_ID MNXM1120781 reference chebi:158163 formula C18H27N3O5 global charge 0 mol weight 365.43 InChIKey HERITAGIPLEJMT-GVARAGBVSA-N InChI InChI=1S/C18H27N3O5/c1-4-10(2)15(19)17(24)20-11(3)16(23)21-14(18(25)26)9-12-5-7-13(22)8-6-12/h5-8,10-11,14-15,22H,4,9,19H2,1-3H3,(H,20,24)(H,21,23)(H,25,26)/t10-,11-,14-,15-/m0/s1 SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O MNX internals InChI (mnx) InChI=1/C18H27N3O5/c1-4-10(2)15(19)17(24)20-11(3)16(23)21-14(18(25)26)9-12-5-7-13(22)8-6-12/h5-8,10-11,14-15,22H,4,9,19H2,1-3H3,(H,20,24)(H,21,23)(H,25,26)/t10-,11-,14-,15-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][C@H:10]([CH3:2])[C@@H:15]([C:17](=[N:20][C@@H:11]([CH3:3])[C:16](=[N:21][C@@H:14]([CH2:9][C:12]1=[CH:6][CH:8]=[C:13]([OH:22])[CH:7]=[CH:5]1)[C:18](=[O:25])[OH:26])[OH:23])[OH:24])[NH2:19]

Parent-child relations graph

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