1,6-anhydro-MurNAc-tetrapeptide

Properties Image MNX_ID MNXM1133759 reference metacycM:1-6-anhydro-MurNAc-tetrapeptide formula C28H44N6O13* global charge -1 mol weight   InChIKey   InChI   SMILES [*]C([NH3+])CCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)C2COC(O2)[C@@H]1NC(C)=O)C(=O)[O-])C(=O)N[C@H](C)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C29H48N6O13/c1-12(30)7-6-8-17(26(41)32-14(3)27(42)43)34-20(37)10-9-18(28(44)45)35-24(39)13(2)31-25(40)15(4)47-23-21(33-16(5)36)29-46-11-19(48-29)22(23)38/h12-15,17-19,21-23,29,38H,6-11,30H2,1-5H3,(H,31,40)(H,32,41)(H,33,36)(H,34,37)(H,35,39)(H,42,43)(H,44,45)/t12?,13-,14+,15+,17-,18+,19?,21+,22+,23+,29?/m0/s1/i1+1 SMILES (mnx) [13CH3:1][CH:12]([CH2:7][CH2:6][CH2:8][C@@H:17]([C:26](=[N:32][C@H:14]([CH3:3])[C:27](=[O:42])[OH:43])[OH:41])[N:34]=[C:20]([CH2:10][CH2:9][C@H:18]([C:28](=[O:44])[OH:45])[N:35]=[C:24]([C@H:13]([CH3:2])[N:31]=[C:25]([C@@H:15]([CH3:4])[O:47][C@@H:23]1[C@@H:21]([N:33]=[C:16]([CH3:5])[OH:36])[CH:29]2[O:46][CH2:11][CH:19]([C@H:22]1[OH:38])[O:48]2)[OH:40])[OH:39])[OH:37])[NH2:30]

Parent-child relations graph

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