Met-Phe-Asn

Properties Image MNX_ID MNXM1123568 reference chebi:160969 formula C18H26N4O5S global charge 0 mol weight 410.496 InChIKey CNAGWYQWQDMUGC-IHRRRGAJSA-N InChI InChI=1S/C18H26N4O5S/c1-28-8-7-12(19)16(24)21-13(9-11-5-3-2-4-6-11)17(25)22-14(18(26)27)10-15(20)23/h2-6,12-14H,7-10,19H2,1H3,(H2,20,23)(H,21,24)(H,22,25)(H,26,27)/t12-,13-,14-/m0/s1 SMILES CSCC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(N)=O)C(=O)O MNX internals InChI (mnx) InChI=1/C18H26N4O5S/c1-28-8-7-12(19)16(24)21-13(9-11-5-3-2-4-6-11)17(25)22-14(18(26)27)10-15(20)23/h2-6,12-14H,7-10,19H2,1H3,(H2,20,23)(H,21,24)(H,22,25)(H,26,27)/t12-,13-,14-/m0/s1 SMILES (mnx) [CH3:1][S:28][CH2:8][CH2:7][C@@H:12]([C:16](=[N:21][C@@H:13]([CH2:9][C:11]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[C:17](=[N:22][C@@H:14]([CH2:10][C:15](=[NH:20])[OH:23])[C:18](=[O:26])[OH:27])[OH:25])[OH:24])[NH2:19]

Parent-child relations graph

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