Ala-Asn-Met

Properties Image MNX_ID MNXM1120623 reference chebi:158004 formula C12H22N4O5S global charge 0 mol weight 334.398 InChIKey JYEBJTDTPNKQJG-FXQIFTODSA-N InChI InChI=1S/C12H22N4O5S/c1-6(13)10(18)16-8(5-9(14)17)11(19)15-7(12(20)21)3-4-22-2/h6-8H,3-5,13H2,1-2H3,(H2,14,17)(H,15,19)(H,16,18)(H,20,21)/t6-,7-,8-/m0/s1 SMILES CSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C(=O)O MNX internals InChI (mnx) InChI=1/C12H22N4O5S/c1-6(13)10(18)16-8(5-9(14)17)11(19)15-7(12(20)21)3-4-22-2/h6-8H,3-5,13H2,1-2H3,(H2,14,17)(H,15,19)(H,16,18)(H,20,21)/t6-,7-,8-/m0/s1 SMILES (mnx) [CH3:1][C@@H:6]([C:10](=[N:16][C@@H:8]([CH2:5][C:9](=[NH:14])[OH:17])[C:11](=[N:15][C@@H:7]([CH2:3][CH2:4][S:22][CH3:2])[C:12](=[O:20])[OH:21])[OH:19])[OH:18])[NH2:13]

Parent-child relations graph

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