Ile-Phe-Met

Properties Image MNX_ID MNXM1121287 reference chebi:158674 formula C20H31N3O4S global charge 0 mol weight 409.552 InChIKey RENBRDSDKPSRIH-HJWJTTGWSA-N InChI InChI=1S/C20H31N3O4S/c1-4-13(2)17(21)19(25)23-16(12-14-8-6-5-7-9-14)18(24)22-15(20(26)27)10-11-28-3/h5-9,13,15-17H,4,10-12,21H2,1-3H3,(H,22,24)(H,23,25)(H,26,27)/t13-,15-,16-,17-/m0/s1 SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C(=O)O MNX internals InChI (mnx) InChI=1/C20H31N3O4S/c1-4-13(2)17(21)19(25)23-16(12-14-8-6-5-7-9-14)18(24)22-15(20(26)27)10-11-28-3/h5-9,13,15-17H,4,10-12,21H2,1-3H3,(H,22,24)(H,23,25)(H,26,27)/t13-,15-,16-,17-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][C@H:13]([CH3:2])[C@@H:17]([C:19](=[N:23][C@@H:16]([CH2:12][C:14]1=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]1)[C:18](=[N:22][C@@H:15]([CH2:10][CH2:11][S:28][CH3:3])[C:20](=[O:26])[OH:27])[OH:24])[OH:25])[NH2:21]

Parent-child relations graph

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