L-alanine-D-glutamate-meso-2,6-diaminoheptanedioate-D-alanine

Properties Image MNX_ID MNXM59271 reference biggM:LalaDgluMdapDala formula C18H30N5O9 global charge -1 mol weight 460.464 InChIKey BAPAFFOXTCMVCC-UHFFFAOYSA-M InChI InChI=1S/C18H31N5O9/c1-8(19)14(25)22-11(17(29)30)5-3-4-10(16(27)28)21-13(24)7-6-12(18(31)32)23-15(26)9(2)20/h8-12H,3-7,19-20H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)(H,27,28)(H,29,30)(H,31,32)/p-1 SMILES CC([NH3+])C(=O)NC(CCCC(NC(=O)CCC(NC(=O)C(C)[NH3+])C(=O)[O-])C(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C18H31N5O9/c1-8(19)14(25)22-11(17(29)30)5-3-4-10(16(27)28)21-13(24)7-6-12(18(31)32)23-15(26)9(2)20/h8-12H,3-7,19-20H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)(H,27,28)(H,29,30)(H,31,32)/t8?,9?,10?,11?,12? SMILES (mnx) [CH3:1][CH:8]([C:14](=[N:22][CH:11]([CH2:5][CH2:3][CH2:4][CH:10]([C:16](=[O:27])[OH:28])[N:21]=[C:13]([CH2:7][CH2:6][CH:12]([C:18](=[O:31])[OH:32])[N:23]=[C:15]([CH:9]([CH3:2])[NH2:20])[OH:26])[OH:24])[C:17](=[O:29])[OH:30])[OH:25])[NH2:19]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 9 in models (compartimentalized) 11