Pro-Trp-Thr

Properties Image MNX_ID MNXM744863 reference chebi:162729 formula C20H26N4O5 global charge 0 mol weight 402.451 InChIKey VBZXFFYOBDLLFE-HSHDSVGOSA-N InChI InChI=1S/C20H26N4O5/c1-11(25)17(20(28)29)24-19(27)16(23-18(26)15-7-4-8-21-15)9-12-10-22-14-6-3-2-5-13(12)14/h2-3,5-6,10-11,15-17,21-22,25H,4,7-9H2,1H3,(H,23,26)(H,24,27)(H,28,29)/t11-,15+,16+,17+/m1/s1 SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@@H]1CCCN1)C(=O)O MNX internals InChI (mnx) InChI=1/C20H26N4O5/c1-11(25)17(20(28)29)24-19(27)16(23-18(26)15-7-4-8-21-15)9-12-10-22-14-6-3-2-5-13(12)14/h2-3,5-6,10-11,15-17,21-22,25H,4,7-9H2,1H3,(H,23,26)(H,24,27)(H,28,29)/t11-,15+,16+,17+/m1/s1 SMILES (mnx) [CH3:1][C@H:11]([C@@H:17]([C:20](=[O:28])[OH:29])[N:24]=[C:19]([C@H:16]([CH2:9][C:12]1=[CH:10][NH:22][C:14]2=[CH:6][CH:3]=[CH:2][CH:5]=[C:13]12)[N:23]=[C:18]([C@@H:15]1[CH2:7][CH2:4][CH2:8][NH:21]1)[OH:26])[OH:27])[OH:25]

Parent-child relations graph

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