(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]glycine benzyl ester

Properties Image MNX_ID MNXM31860 reference keggC:C01315 formula C24H26N2O7S global charge 0 mol weight 486.546 InChIKey HGABMNDIYGDWKT-GPJFCIFZSA-N InChI InChI=1S/C24H26N2O7S/c1-15(27)34-13-20-18(17-7-8-21-22(9-17)33-14-32-21)10-19(26(20)30)24(29)25-11-23(28)31-12-16-5-3-2-4-6-16/h2-9,18-20,30H,10-14H2,1H3,(H,25,29)/t18?,19-,20?/m0/s1 SMILES CC(=O)SCC1C(C2=CC3=C(C=C2)OCO3)C[C@@H](C(=O)NCC(=O)OCC2=CC=CC=C2)N1O MNX internals InChI (mnx) InChI=1/C24H26N2O7S/c1-15(27)34-13-20-18(17-7-8-21-22(9-17)33-14-32-21)10-19(26(20)30)24(29)25-11-23(28)31-12-16-5-3-2-4-6-16/h2-9,18-20,30H,10-14H2,1H3,(H,25,29)/t18?,19-,20?/m0/s1 SMILES (mnx) [CH3:1][C:15](=[O:27])[S:34][CH2:13][CH:20]1[CH:18]([C:17]2=[CH:9][C:22]3=[C:21]([CH:8]=[CH:7]2)[O:32][CH2:14][O:33]3)[CH2:10][C@@H:19]([C:24](=[N:25][CH2:11][C:23](=[O:28])[O:31][CH2:12][C:16]2=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]2)[OH:29])[N:26]1[OH:30]

Parent-child relations graph

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