Met-Arg-Arg

Properties Image MNX_ID MNXM1123090 reference chebi:160490 formula C17H35N9O4S global charge 0 mol weight 461.593 InChIKey JQEBITVYKUCBMC-SRVKXCTJSA-N InChI InChI=1S/C17H35N9O4S/c1-31-9-6-10(18)13(27)25-11(4-2-7-23-16(19)20)14(28)26-12(15(29)30)5-3-8-24-17(21)22/h10-12H,2-9,18H2,1H3,(H,25,27)(H,26,28)(H,29,30)(H4,19,20,23)(H4,21,22,24)/t10-,11-,12-/m0/s1 SMILES CSCC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O MNX internals InChI (mnx) InChI=1/C17H35N9O4S/c1-31-9-6-10(18)13(27)25-11(4-2-7-23-16(19)20)14(28)26-12(15(29)30)5-3-8-24-17(21)22/h10-12H,2-9,18H2,1H3,(H,25,27)(H,26,28)(H,29,30)(H4,19,20,23)(H4,21,22,24)/t10-,11-,12-/m0/s1 SMILES (mnx) [CH3:1][S:31][CH2:9][CH2:6][C@@H:10]([C:13](=[N:25][C@@H:11]([CH2:4][CH2:2][CH2:7][NH:23][C:16](=[NH:19])[NH2:20])[C:14](=[N:26][C@@H:12]([CH2:5][CH2:3][CH2:8][NH:24][C:17](=[NH:21])[NH2:22])[C:15](=[O:29])[OH:30])[OH:28])[OH:27])[NH2:18]

Parent-child relations graph

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