Asparaginyl-Phenylalanyl-Cysteine

Properties Image MNX_ID MNXM744642 reference biggM:asnphecys formula C16H22N4O5S global charge 0 mol weight 382.442 InChIKey BSBNNPICFPXDNH-GRYCIOLGSA-N InChI InChI=1S/C16H22N4O5S/c17-10(7-13(18)21)14(22)19-11(6-9-4-2-1-3-5-9)15(23)20-12(8-26)16(24)25/h1-5,10-12,26H,6-8,17H2,(H2,18,21)(H,19,22)(H,20,23)(H,24,25)/t10-,11+,12-/m1/s1 SMILES NC(=O)C[C@@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](CS)C(=O)O MNX internals InChI (mnx) InChI=1/C16H22N4O5S/c17-10(7-13(18)21)14(22)19-11(6-9-4-2-1-3-5-9)15(23)20-12(8-26)16(24)25/h1-5,10-12,26H,6-8,17H2,(H2,18,21)(H,19,22)(H,20,23)(H,24,25)/t10-,11+,12-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:9]([CH2:6][C@@H:11]([C:15](=[N:20][C@H:12]([CH2:8][SH:26])[C:16](=[O:24])[OH:25])[OH:23])[N:19]=[C:14]([C@@H:10]([CH2:7][C:13](=[NH:18])[OH:21])[NH2:17])[OH:22])[CH:5]=[CH:3]1

Parent-child relations graph

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