Prolyl-Asparaginyl-Cysteine

Properties Image MNX_ID MNXM744850 reference biggM:proasncys formula C12H20N4O5S global charge 0 mol weight 332.382 InChIKey WECYCNFPGZLOOU-ZHFSPANRSA-N InChI InChI=1S/C12H20N4O5S/c13-9(17)4-7(11(19)16-8(5-22)12(20)21)15-10(18)6-2-1-3-14-6/h6-8,14,22H,1-5H2,(H2,13,17)(H,15,18)(H,16,19)(H,20,21)/t6?,7-,8+/m0/s1 SMILES NC(=O)C[C@H](NC(=O)C1CCCN1)C(=O)N[C@H](CS)C(=O)O MNX internals InChI (mnx) InChI=1/C12H20N4O5S/c13-9(17)4-7(11(19)16-8(5-22)12(20)21)15-10(18)6-2-1-3-14-6/h6-8,14,22H,1-5H2,(H2,13,17)(H,15,18)(H,16,19)(H,20,21)/t6?,7-,8+/m0/s1 SMILES (mnx) [CH2:1]1[CH2:2][CH:6]([C:10](=[N:15][C@@H:7]([CH2:4][C:9](=[NH:13])[OH:17])[C:11](=[N:16][C@H:8]([CH2:5][SH:22])[C:12](=[O:20])[OH:21])[OH:19])[OH:18])[NH:14][CH2:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 3