4-[N-gamma-L-glutamyl-gamma-L-glutamyl-)-p-(beta-aminoethyl)phenoxy-methyl]-2-(aminomethyl)furan

Properties Image MNX_ID MNXM486403 reference seedM:cpd24821 formula C24H32N4O8 global charge 0 mol weight 504.54 InChIKey CSWHGZBGPFXBAH-PMACEKPBSA-N InChI InChI=1S/C24H32N4O8/c25-12-18-11-16(14-36-18)13-35-17-3-1-15(2-4-17)9-10-27-21(29)8-6-20(24(33)34)28-22(30)7-5-19(26)23(31)32/h1-4,11,14,19-20H,5-10,12-13,25-26H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/t19-,20-/m0/s1 SMILES [NH3+]CC1=CC(COC2=CC=C(CCNC(=O)CC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)[O-])C=C2)=CO1 MNX internals InChI (mnx) InChI=1/C24H32N4O8/c25-12-18-11-16(14-36-18)13-35-17-3-1-15(2-4-17)9-10-27-21(29)8-6-20(24(33)34)28-22(30)7-5-19(26)23(31)32/h1-4,11,14,19-20H,5-10,12-13,25-26H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/t19-,20-/m0/s1 SMILES (mnx) [CH:1]1=[CH:3][C:17]([O:35][CH2:13][C:16]2=[CH:14][O:36][C:18]([CH2:12][NH2:25])=[CH:11]2)=[CH:4][CH:2]=[C:15]1[CH2:9][CH2:10][N:27]=[C:21]([CH2:8][CH2:6][C@@H:20]([C:24](=[O:33])[OH:34])[N:28]=[C:22]([CH2:7][CH2:5][C@@H:19]([C:23](=[O:31])[OH:32])[NH2:26])[OH:30])[OH:29]

Parent-child relations graph

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