Trp-Arg-Ala

Properties Image MNX_ID MNXM1127018 reference chebi:164435 formula C20H29N7O4 global charge 0 mol weight 431.497 InChIKey HOJPPPKZWFRTHJ-PJODQICGSA-N InChI InChI=1S/C20H29N7O4/c1-11(19(30)31)26-18(29)16(7-4-8-24-20(22)23)27-17(28)14(21)9-12-10-25-15-6-3-2-5-13(12)15/h2-3,5-6,10-11,14,16,25H,4,7-9,21H2,1H3,(H,26,29)(H,27,28)(H,30,31)(H4,22,23,24)/t11-,14-,16-/m0/s1 SMILES C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2)C(=O)O MNX internals InChI (mnx) InChI=1/C20H29N7O4/c1-11(19(30)31)26-18(29)16(7-4-8-24-20(22)23)27-17(28)14(21)9-12-10-25-15-6-3-2-5-13(12)15/h2-3,5-6,10-11,14,16,25H,4,7-9,21H2,1H3,(H,26,29)(H,27,28)(H,30,31)(H4,22,23,24)/t11-,14-,16-/m0/s1 SMILES (mnx) [CH3:1][C@@H:11]([C:19](=[O:30])[OH:31])[N:26]=[C:18]([C@H:16]([CH2:7][CH2:4][CH2:8][NH:24][C:20](=[NH:22])[NH2:23])[N:27]=[C:17]([C@H:14]([CH2:9][C:12]1=[CH:10][NH:25][C:15]2=[CH:6][CH:3]=[CH:2][CH:5]=[C:13]12)[NH2:21])[OH:28])[OH:29]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 3