Ile-Asn-Ile

Properties Image MNX_ID MNXM1120840 reference chebi:158226 formula C16H30N4O5 global charge 0 mol weight 358.439 InChIKey YPQDTQJBOFOTJQ-SXTJYALSSA-N InChI InChI=1S/C16H30N4O5/c1-5-8(3)12(18)15(23)19-10(7-11(17)21)14(22)20-13(16(24)25)9(4)6-2/h8-10,12-13H,5-7,18H2,1-4H3,(H2,17,21)(H,19,23)(H,20,22)(H,24,25)/t8-,9-,10-,12-,13-/m0/s1 SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)CC MNX internals InChI (mnx) InChI=1/C16H30N4O5/c1-5-8(3)12(18)15(23)19-10(7-11(17)21)14(22)20-13(16(24)25)9(4)6-2/h8-10,12-13H,5-7,18H2,1-4H3,(H2,17,21)(H,19,23)(H,20,22)(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:19][C@@H:10]([CH2:7][C:11](=[NH:17])[OH:21])[C:14](=[N:20][C@@H:13]([C@@H:9]([CH3:4])[CH2:6][CH3:2])[C:16](=[O:24])[OH:25])[OH:22])[OH:23])[NH2:18]

Parent-child relations graph

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