Asn-Lys-Ile

Properties Image MNX_ID MNXM1122539 reference chebi:159933 formula C16H31N5O5 global charge 0 mol weight 373.454 InChIKey JWKDQOORUCYUIW-ZPFDUUQYSA-N InChI InChI=1S/C16H31N5O5/c1-3-9(2)13(16(25)26)21-15(24)11(6-4-5-7-17)20-14(23)10(18)8-12(19)22/h9-11,13H,3-8,17-18H2,1-2H3,(H2,19,22)(H,20,23)(H,21,24)(H,25,26)/t9-,10-,11-,13-/m0/s1 SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(N)=O)C(=O)O MNX internals InChI (mnx) InChI=1/C16H31N5O5/c1-3-9(2)13(16(25)26)21-15(24)11(6-4-5-7-17)20-14(23)10(18)8-12(19)22/h9-11,13H,3-8,17-18H2,1-2H3,(H2,19,22)(H,20,23)(H,21,24)(H,25,26)/t9-,10-,11-,13-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][C@H:9]([CH3:2])[C@@H:13]([C:16](=[O:25])[OH:26])[N:21]=[C:15]([C@H:11]([CH2:6][CH2:4][CH2:5][CH2:7][NH2:17])[N:20]=[C:14]([C@H:10]([CH2:8][C:12](=[NH:19])[OH:22])[NH2:18])[OH:23])[OH:24]

Parent-child relations graph

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