Ala-Met-Ile

Properties Image MNX_ID MNXM1120994 reference chebi:158381 formula C14H27N3O4S global charge 0 mol weight 333.454 InChIKey IHRGVZXPTIQNIP-NAKRPEOUSA-N InChI InChI=1S/C14H27N3O4S/c1-5-8(2)11(14(20)21)17-13(19)10(6-7-22-4)16-12(18)9(3)15/h8-11H,5-7,15H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t8-,9-,10-,11-/m0/s1 SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](C)N)C(=O)O MNX internals InChI (mnx) InChI=1/C14H27N3O4S/c1-5-8(2)11(14(20)21)17-13(19)10(6-7-22-4)16-12(18)9(3)15/h8-11H,5-7,15H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t8-,9-,10-,11-/m0/s1 SMILES (mnx) [CH3:1][CH2:5][C@H:8]([CH3:2])[C@@H:11]([C:14](=[O:20])[OH:21])[N:17]=[C:13]([C@H:10]([CH2:6][CH2:7][S:22][CH3:4])[N:16]=[C:12]([C@H:9]([CH3:3])[NH2:15])[OH:18])[OH:19]

Parent-child relations graph

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