Pro-His-Tyr

Properties Image MNX_ID MNXM744857 reference chebi:162373 formula C20H25N5O5 global charge 0 mol weight 415.45 InChIKey XFFIGWGYMUFCCQ-ULQDDVLXSA-N InChI InChI=1S/C20H25N5O5/c26-14-5-3-12(4-6-14)8-17(20(29)30)25-19(28)16(9-13-10-21-11-23-13)24-18(27)15-2-1-7-22-15/h3-6,10-11,15-17,22,26H,1-2,7-9H2,(H,21,23)(H,24,27)(H,25,28)(H,29,30)/t15-,16-,17-/m0/s1 SMILES O=C(O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCCN1 MNX internals InChI (mnx) InChI=1/C20H25N5O5/c26-14-5-3-12(4-6-14)8-17(20(29)30)25-19(28)16(9-13-10-21-11-23-13)24-18(27)15-2-1-7-22-15/h3-6,10-11,15-17,22,26H,1-2,7-9H2,(H,21,23)(H,24,27)(H,25,28)(H,29,30)/t15-,16-,17-/m0/s1 SMILES (mnx) [CH2:1]1[CH2:2][C@@H:15]([C:18](=[N:24][C@@H:16]([CH2:9][C:13]2=[CH:10][N:21]=[CH:11][NH:23]2)[C:19](=[N:25][C@@H:17]([CH2:8][C:12]2=[CH:4][CH:6]=[C:14]([OH:26])[CH:5]=[CH:3]2)[C:20](=[O:29])[OH:30])[OH:28])[OH:27])[NH:22][CH2:7]1

Parent-child relations graph

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