Phe-His-Ile

Properties Image MNX_ID MNXM1124168 reference chebi:161570 formula C21H29N5O4 global charge 0 mol weight 415.494 InChIKey ZKSLXIGKRJMALF-MGHWNKPDSA-N InChI InChI=1S/C21H29N5O4/c1-3-13(2)18(21(29)30)26-20(28)17(10-15-11-23-12-24-15)25-19(27)16(22)9-14-7-5-4-6-8-14/h4-8,11-13,16-18H,3,9-10,22H2,1-2H3,(H,23,24)(H,25,27)(H,26,28)(H,29,30)/t13-,16-,17-,18-/m0/s1 SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)O MNX internals InChI (mnx) InChI=1/C21H29N5O4/c1-3-13(2)18(21(29)30)26-20(28)17(10-15-11-23-12-24-15)25-19(27)16(22)9-14-7-5-4-6-8-14/h4-8,11-13,16-18H,3,9-10,22H2,1-2H3,(H,23,24)(H,25,27)(H,26,28)(H,29,30)/t13-,16-,17-,18-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][C@H:13]([CH3:2])[C@@H:18]([C:21](=[O:29])[OH:30])[N:26]=[C:20]([C@H:17]([CH2:10][C:15]1=[CH:11][N:23]=[CH:12][NH:24]1)[N:25]=[C:19]([C@H:16]([CH2:9][C:14]1=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]1)[NH2:22])[OH:27])[OH:28]

Parent-child relations graph

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