Met-Ala-Tyr

Properties Image MNX_ID MNXM1123084 reference chebi:160484 formula C17H25N3O5S global charge 0 mol weight 383.47 InChIKey BVXXDMUMHMXFER-BPNCWPANSA-N InChI InChI=1S/C17H25N3O5S/c1-10(19-16(23)13(18)7-8-26-2)15(22)20-14(17(24)25)9-11-3-5-12(21)6-4-11/h3-6,10,13-14,21H,7-9,18H2,1-2H3,(H,19,23)(H,20,22)(H,24,25)/t10-,13-,14-/m0/s1 SMILES CSCC[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/C17H25N3O5S/c1-10(19-16(23)13(18)7-8-26-2)15(22)20-14(17(24)25)9-11-3-5-12(21)6-4-11/h3-6,10,13-14,21H,7-9,18H2,1-2H3,(H,19,23)(H,20,22)(H,24,25)/t10-,13-,14-/m0/s1 SMILES (mnx) [CH3:1][C@@H:10]([C:15](=[N:20][C@@H:14]([CH2:9][C:11]1=[CH:4][CH:6]=[C:12]([OH:21])[CH:5]=[CH:3]1)[C:17](=[O:24])[OH:25])[OH:22])[N:19]=[C:16]([C@H:13]([CH2:7][CH2:8][S:26][CH3:2])[NH2:18])[OH:23]

Parent-child relations graph

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