Asn-Met-Cys

Properties Image MNX_ID MNXM1122569 reference chebi:159963 formula C12H22N4O5S2 global charge 0 mol weight 366.465 InChIKey HGGIYWURFPGLIU-FXQIFTODSA-N InChI InChI=1S/C12H22N4O5S2/c1-23-3-2-7(11(19)16-8(5-22)12(20)21)15-10(18)6(13)4-9(14)17/h6-8,22H,2-5,13H2,1H3,(H2,14,17)(H,15,18)(H,16,19)(H,20,21)/t6-,7-,8-/m0/s1 SMILES CSCC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CS)C(=O)O MNX internals InChI (mnx) InChI=1/C12H22N4O5S2/c1-23-3-2-7(11(19)16-8(5-22)12(20)21)15-10(18)6(13)4-9(14)17/h6-8,22H,2-5,13H2,1H3,(H2,14,17)(H,15,18)(H,16,19)(H,20,21)/t6-,7-,8-/m0/s1 SMILES (mnx) [CH3:1][S:23][CH2:3][CH2:2][C@@H:7]([C:11](=[N:16][C@@H:8]([CH2:5][SH:22])[C:12](=[O:20])[OH:21])[OH:19])[N:15]=[C:10]([C@H:6]([CH2:4][C:9](=[NH:14])[OH:17])[NH2:13])[OH:18]

Parent-child relations graph

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