L-4-hydroxyphenylglycine-L-arginyl-D-4-hydroxyphenylglycine-L-seryl-L 4-hydroxyphenylglycine

Properties Image MNX_ID MNXM164860 reference metacycM:CPD-19202 formula C33H41N8O10 global charge 1 mol weight 709.737 InChIKey ZHBGOAMEFNAJGS-JUCVYKANSA-O InChI InChI=1S/C33H40N8O10/c34-25(17-3-9-20(43)10-4-17)30(48)38-23(2-1-15-37-33(35)36)28(46)40-26(18-5-11-21(44)12-6-18)31(49)39-24(16-42)29(47)41-27(32(50)51)19-7-13-22(45)14-8-19/h3-14,23-27,42-45H,1-2,15-16,34H2,(H,38,48)(H,39,49)(H,40,46)(H,41,47)(H,50,51)(H4,35,36,37)/p+1/t23-,24-,25-,26+,27-/m0/s1 SMILES NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])C1=CC=C(O)C=C1)C(=O)N[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)[O-])C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 MNX internals InChI (mnx) InChI=1/C33H40N8O10/c34-25(17-3-9-20(43)10-4-17)30(48)38-23(2-1-15-37-33(35)36)28(46)40-26(18-5-11-21(44)12-6-18)31(49)39-24(16-42)29(47)41-27(32(50)51)19-7-13-22(45)14-8-19/h3-14,23-27,42-45H,1-2,15-16,34H2,(H,38,48)(H,39,49)(H,40,46)(H,41,47)(H,50,51)(H4,35,36,37)/t23-,24-,25-,26+,27-/m0/s1 SMILES (mnx) [CH2:1]([CH2:2][C@@H:23]([C:28](=[N:40][C@H:26]([C:18]1=[CH:6][CH:12]=[C:21]([OH:44])[CH:11]=[CH:5]1)[C:31](=[N:39][C@@H:24]([CH2:16][OH:42])[C:29](=[N:41][C@@H:27]([C:19]1=[CH:8][CH:14]=[C:22]([OH:45])[CH:13]=[CH:7]1)[C:32](=[O:50])[OH:51])[OH:47])[OH:49])[OH:46])[N:38]=[C:30]([C@H:25]([C:17]1=[CH:4][CH:10]=[C:20]([OH:43])[CH:9]=[CH:3]1)[NH2:34])[OH:48])[CH2:15][NH:37][C:33](=[NH:35])[NH2:36]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0