methoxysuccinyl-Ala-Ala-Pro-Val chloromethyl ketone

Properties Image MNX_ID MNXM157883 reference chebi:83803 formula C22H35ClN4O7 global charge 0 mol weight 502.996 InChIKey PJGDFLJMBAYGGC-XLPNERPQSA-N InChI InChI=1S/C22H35ClN4O7/c1-12(2)19(16(28)11-23)26-21(32)15-7-6-10-27(15)22(33)14(4)25-20(31)13(3)24-17(29)8-9-18(30)34-5/h12-15,19H,6-11H2,1-5H3,(H,24,29)(H,25,31)(H,26,32)/t13-,14-,15-,19-/m0/s1 SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)CCl)C(C)C MNX internals InChI (mnx) InChI=1/C22H35ClN4O7/c1-12(2)19(16(28)11-23)26-21(32)15-7-6-10-27(15)22(33)14(4)25-20(31)13(3)24-17(29)8-9-18(30)34-5/h12-15,19H,6-11H2,1-5H3,(H,24,29)(H,25,31)(H,26,32)/t13-,14-,15-,19-/m0/s1 SMILES (mnx) [CH3:1][CH:12]([CH3:2])[C@@H:19]([C:16]([CH2:11][Cl:23])=[O:28])[N:26]=[C:21]([C@@H:15]1[CH2:7][CH2:6][CH2:10][N:27]1[C:22]([C@H:14]([CH3:4])[N:25]=[C:20]([C@H:13]([CH3:3])[N:24]=[C:17]([CH2:8][CH2:9][C:18](=[O:30])[O:34][CH3:5])[OH:29])[OH:31])=[O:33])[OH:32]

Parent-child relations graph

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