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

Properties Image MNX_ID MNXM59276 reference chebi:61626 formula C17H31N5O7 global charge 0 mol weight 417.463 InChIKey XJIDMERGIYRDKC-WHOHXGKFSA-N InChI InChI=1S/C17H31N5O7/c1-9(19)14(24)22-12(17(28)29)6-7-13(23)21-11(5-3-4-8-18)15(25)20-10(2)16(26)27/h9-12H,3-8,18-19H2,1-2H3,(H,20,25)(H,21,23)(H,22,24)(H,26,27)(H,28,29)/t9-,10+,11-,12+/m0/s1 SMILES C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C17H31N5O7/c1-9(19)14(24)22-12(17(28)29)6-7-13(23)21-11(5-3-4-8-18)15(25)20-10(2)16(26)27/h9-12H,3-8,18-19H2,1-2H3,(H,20,25)(H,21,23)(H,22,24)(H,26,27)(H,28,29)/t9-,10+,11-,12+/m0/s1 SMILES (mnx) [CH3:1][C@@H:9]([C:14](=[N:22][C@H:12]([CH2:6][CH2:7][C:13](=[N:21][C@@H:11]([CH2:5][CH2:3][CH2:4][CH2:8][NH2:18])[C:15](=[N:20][C@H:10]([CH3:2])[C:16](=[O:26])[OH:27])[OH:25])[OH:23])[C:17](=[O:28])[OH:29])[OH:24])[NH2:19]

Parent-child relations graph

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