L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine

Properties Image MNX_ID MNXM157021 reference metacycM:CPD-15384 formula C20H36N6O8 global charge 0 mol weight 488.542 InChIKey MCIBYIIODNXVSL-ZSLBOAEBSA-N InChI InChI=1S/C20H36N6O8/c1-10(22)16(28)26-14(20(33)34)7-8-15(27)25-13(6-4-5-9-21)18(30)23-11(2)17(29)24-12(3)19(31)32/h10-14H,4-9,21-22H2,1-3H3,(H,23,30)(H,24,29)(H,25,27)(H,26,28)(H,31,32)(H,33,34)/t10-,11+,12+,13-,14-/m0/s1 SMILES C[C@H]([NH3+])C(=O)N[C@@H](CCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C20H36N6O8/c1-10(22)16(28)26-14(20(33)34)7-8-15(27)25-13(6-4-5-9-21)18(30)23-11(2)17(29)24-12(3)19(31)32/h10-14H,4-9,21-22H2,1-3H3,(H,23,30)(H,24,29)(H,25,27)(H,26,28)(H,31,32)(H,33,34)/t10-,11+,12+,13-,14-/m0/s1 SMILES (mnx) [CH3:1][C@@H:10]([C:16](=[N:26][C@@H:14]([CH2:7][CH2:8][C:15](=[N:25][C@@H:13]([CH2:6][CH2:4][CH2:5][CH2:9][NH2:21])[C:18](=[N:23][C@H:11]([CH3:2])[C:17](=[N:24][C@H:12]([CH3:3])[C:19](=[O:31])[OH:32])[OH:29])[OH:30])[OH:27])[C:20](=[O:33])[OH:34])[OH:28])[NH2:22]

Parent-child relations graph

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