(1R*,3R*,3'S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid

Properties Image MNX_ID MNXM114886 reference hmdb:HMDB0034767 formula C16H17N3O2S global charge 0 mol weight 315.398 InChIKey YHAYSIGUKKXZJH-UHFFFAOYSA-N InChI InChI=1S/C16H17N3O2S/c20-16(21)12-7-10-8-3-1-2-4-11(8)18-14(10)13(19-12)9-5-6-17-15(9)22/h1-4,9,12-13,18-19H,5-7H2,(H,17,22)(H,20,21) SMILES O=C(O)C1CC2=C(NC3=CC=CC=C32)C(C2CCNC2=S)N1 MNX internals InChI (mnx) InChI=1/C16H17N3O2S/c20-16(21)12-7-10-8-3-1-2-4-11(8)18-14(10)13(19-12)9-5-6-17-15(9)22/h1-4,9,12-13,18-19H,5-7H2,(H,17,22)(H,20,21)/t9?,12?,13? SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:11]2[C:8](=[CH:3]1)[C:10]1=[C:14]([CH:13]([CH:9]3[CH2:5][CH2:6][N:17]=[C:15]3[SH:22])[NH:19][CH:12]([C:16](=[O:20])[OH:21])[CH2:7]1)[NH:18]2

Parent-child relations graph

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