D-Val-Leu-Lys-thiobenzyl ester

Properties Image MNX_ID MNXM167594 reference sabiorkM:27105 formula C24H40N4O3S global charge 0 mol weight 464.676 InChIKey HTDCPIJZTYNZSC-UHFFFAOYSA-N InChI InChI=1S/C24H40N4O3S/c1-16(2)14-20(28-23(30)21(26)17(3)4)22(29)27-19(12-8-9-13-25)24(31)32-15-18-10-6-5-7-11-18/h5-7,10-11,16-17,19-21H,8-9,12-15,25-26H2,1-4H3,(H,27,29)(H,28,30) SMILES CC(C)CC(N=C(O)C(N)C(C)C)C(O)=NC(CCCCN)C(=O)SCC1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C24H40N4O3S/c1-16(2)14-20(28-23(30)21(26)17(3)4)22(29)27-19(12-8-9-13-25)24(31)32-15-18-10-6-5-7-11-18/h5-7,10-11,16-17,19-21H,8-9,12-15,25-26H2,1-4H3,(H,27,29)(H,28,30)/t19?,20?,21? SMILES (mnx) [CH3:1][CH:16]([CH3:2])[CH2:14][CH:20]([C:22](=[N:27][CH:19]([CH2:12][CH2:8][CH2:9][CH2:13][NH2:25])[C:24](=[O:31])[S:32][CH2:15][C:18]1=[CH:10][CH:6]=[CH:5][CH:7]=[CH:11]1)[OH:29])[N:28]=[C:23]([CH:21]([CH:17]([CH3:3])[CH3:4])[NH2:26])[OH:30]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0