Phe-Tyr-Ile

Properties Image MNX_ID MNXM1124554 reference chebi:161959 formula C24H31N3O5 global charge 0 mol weight 441.528 InChIKey MMPBPRXOFJNCCN-ZEWNOJEFSA-N InChI InChI=1S/C24H31N3O5/c1-3-15(2)21(24(31)32)27-23(30)20(14-17-9-11-18(28)12-10-17)26-22(29)19(25)13-16-7-5-4-6-8-16/h4-12,15,19-21,28H,3,13-14,25H2,1-2H3,(H,26,29)(H,27,30)(H,31,32)/t15-,19-,20-,21-/m0/s1 SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)O MNX internals InChI (mnx) InChI=1/C24H31N3O5/c1-3-15(2)21(24(31)32)27-23(30)20(14-17-9-11-18(28)12-10-17)26-22(29)19(25)13-16-7-5-4-6-8-16/h4-12,15,19-21,28H,3,13-14,25H2,1-2H3,(H,26,29)(H,27,30)(H,31,32)/t15-,19-,20-,21-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][C@H:15]([CH3:2])[C@@H:21]([C:24](=[O:31])[OH:32])[N:27]=[C:23]([C@H:20]([CH2:14][C:17]1=[CH:10][CH:12]=[C:18]([OH:28])[CH:11]=[CH:9]1)[N:26]=[C:22]([C@H:19]([CH2:13][C:16]1=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]1)[NH2:25])[OH:29])[OH:30]

Parent-child relations graph

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