an R-2-hydroxy-3-methylpentanoyl-methylvalyl-[acp]

Properties Image MNX_ID MNXM148498 reference metacycM:CPD-17917 formula C26H46N4O11PS*2 global charge -1 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](O)C(C)CC)C([*])=O MNX internals InChI (mnx) InChI=1/C28H53N4O11PS/c1-10-18(4)23(35)26(38)32(9)22(17(2)3)27(39)45-14-13-30-21(34)11-12-31-25(37)24(36)28(6,7)16-43-44(40,41)42-15-20(29-8)19(5)33/h17-18,20,22-24,29,35-36H,10-16H2,1-9H3,(H,30,34)(H,31,37)(H,40,41)/t18?,20-,22-,23+,24-/m0/s1/i5+1,8+1 SMILES (mnx) [CH3:1][CH2:10][CH:18]([CH3:4])[C@H:23]([C:26]([N:32]([CH3:9])[C@@H:22]([CH:17]([CH3:2])[CH3:3])[C:27](=[O:39])[S:45][CH2:14][CH2:13][N:30]=[C:21]([CH2:11][CH2:12][N:31]=[C:25]([C@@H:24]([C:28]([CH3:6])([CH3:7])[CH2:16][O:43][P:44]([OH:40])(=[O:41])[O:42][CH2:15][C@@H:20]([C:19]([13CH3:5])=[O:33])[NH:29][13CH3:8])[OH:36])[OH:37])[OH:34])=[O:38])[OH:35]

Parent-child relations graph

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