Lys-Arg-Ile

Properties Image MNX_ID MNXM1122331 reference chebi:159723 formula C18H37N7O4 global charge 0 mol weight 415.539 InChIKey VHNOAIFVYUQOOY-XUXIUFHCSA-N InChI InChI=1S/C18H37N7O4/c1-3-11(2)14(17(28)29)25-16(27)13(8-6-10-23-18(21)22)24-15(26)12(20)7-4-5-9-19/h11-14H,3-10,19-20H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)(H4,21,22,23)/t11-,12-,13-,14-/m0/s1 SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCCN)C(=O)O MNX internals InChI (mnx) InChI=1/C18H37N7O4/c1-3-11(2)14(17(28)29)25-16(27)13(8-6-10-23-18(21)22)24-15(26)12(20)7-4-5-9-19/h11-14H,3-10,19-20H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)(H4,21,22,23)/t11-,12-,13-,14-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][C@H:11]([CH3:2])[C@@H:14]([C:17](=[O:28])[OH:29])[N:25]=[C:16]([C@H:13]([CH2:8][CH2:6][CH2:10][NH:23][C:18](=[NH:21])[NH2:22])[N:24]=[C:15]([C@H:12]([CH2:7][CH2:4][CH2:5][CH2:9][NH2:19])[NH2:20])[OH:26])[OH:27]

Parent-child relations graph

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