Ile-Pro-Gln

Properties Image MNX_ID MNXM1121312 reference chebi:158700 formula C16H28N4O5 global charge 0 mol weight 356.423 InChIKey BATWGBRIZANGPN-ZPFDUUQYSA-N InChI InChI=1S/C16H28N4O5/c1-3-9(2)13(18)15(23)20-8-4-5-11(20)14(22)19-10(16(24)25)6-7-12(17)21/h9-11,13H,3-8,18H2,1-2H3,(H2,17,21)(H,19,22)(H,24,25)/t9-,10-,11-,13-/m0/s1 SMILES CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O MNX internals InChI (mnx) InChI=1/C16H28N4O5/c1-3-9(2)13(18)15(23)20-8-4-5-11(20)14(22)19-10(16(24)25)6-7-12(17)21/h9-11,13H,3-8,18H2,1-2H3,(H2,17,21)(H,19,22)(H,24,25)/t9-,10-,11-,13-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][C@H:9]([CH3:2])[C@@H:13]([C:15]([N:20]1[CH2:8][CH2:4][CH2:5][C@H:11]1[C:14](=[N:19][C@@H:10]([CH2:6][CH2:7][C:12](=[NH:17])[OH:21])[C:16](=[O:24])[OH:25])[OH:22])=[O:23])[NH2:18]

Parent-child relations graph

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