Asn-Cys-Met

Properties Image MNX_ID MNXM1122266 reference chebi:159658 formula C12H22N4O5S2 global charge 0 mol weight 366.465 InChIKey DHVMIHWNDBFTHB-FXQIFTODSA-N InChI InChI=1S/C12H22N4O5S2/c1-23-3-2-7(12(20)21)15-11(19)8(5-22)16-10(18)6(13)4-9(14)17/h6-8,22H,2-5,13H2,1H3,(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](CS)NC(=O)[C@@H](N)CC(N)=O)C(=O)O MNX internals InChI (mnx) InChI=1/C12H22N4O5S2/c1-23-3-2-7(12(20)21)15-11(19)8(5-22)16-10(18)6(13)4-9(14)17/h6-8,22H,2-5,13H2,1H3,(H2,14,17)(H,15,19)(H,16,18)(H,20,21)/t6-,7-,8-/m0/s1 SMILES (mnx) [CH3:1][S:23][CH2:3][CH2:2][C@@H:7]([C:12](=[O:20])[OH:21])[N:15]=[C:11]([C@H:8]([CH2:5][SH:22])[N:16]=[C:10]([C@H:6]([CH2:4][C:9](=[NH:14])[OH:17])[NH2:13])[OH:18])[OH:19]

Parent-child relations graph

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