Asn-Ile-Ile

Properties Image MNX_ID MNXM1122460 reference chebi:159853 formula C16H30N4O5 global charge 0 mol weight 358.439 InChIKey YYSYDIYQTUPNQQ-SXTJYALSSA-N InChI InChI=1S/C16H30N4O5/c1-5-8(3)12(19-14(22)10(17)7-11(18)21)15(23)20-13(16(24)25)9(4)6-2/h8-10,12-13H,5-7,17H2,1-4H3,(H2,18,21)(H,19,22)(H,20,23)(H,24,25)/t8-,9-,10-,12-,13-/m0/s1 SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)CC)C(=O)O MNX internals InChI (mnx) InChI=1/C16H30N4O5/c1-5-8(3)12(19-14(22)10(17)7-11(18)21)15(23)20-13(16(24)25)9(4)6-2/h8-10,12-13H,5-7,17H2,1-4H3,(H2,18,21)(H,19,22)(H,20,23)(H,24,25)/t8-,9-,10-,12-,13-/m0/s1 SMILES (mnx) [CH3:1][CH2:5][C@H:8]([CH3:3])[C@@H:12]([C:15](=[N:20][C@@H:13]([C@@H:9]([CH3:4])[CH2:6][CH3:2])[C:16](=[O:24])[OH:25])[OH:23])[N:19]=[C:14]([C@H:10]([CH2:7][C:11](=[NH:18])[OH:21])[NH2:17])[OH:22]

Parent-child relations graph

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