Ile-His-Met

Properties Image MNX_ID MNXM1121087 reference chebi:158474 formula C17H29N5O4S global charge 0 mol weight 399.517 InChIKey VUEXLJFLDONGKQ-PYJNHQTQSA-N InChI InChI=1S/C17H29N5O4S/c1-4-10(2)14(18)16(24)22-13(7-11-8-19-9-20-11)15(23)21-12(17(25)26)5-6-27-3/h8-10,12-14H,4-7,18H2,1-3H3,(H,19,20)(H,21,23)(H,22,24)(H,25,26)/t10-,12-,13-,14-/m0/s1 SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCSC)C(=O)O MNX internals InChI (mnx) InChI=1/C17H29N5O4S/c1-4-10(2)14(18)16(24)22-13(7-11-8-19-9-20-11)15(23)21-12(17(25)26)5-6-27-3/h8-10,12-14H,4-7,18H2,1-3H3,(H,19,20)(H,21,23)(H,22,24)(H,25,26)/t10-,12-,13-,14-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][C@H:10]([CH3:2])[C@@H:14]([C:16](=[N:22][C@@H:13]([CH2:7][C:11]1=[CH:8][N:19]=[CH:9][NH:20]1)[C:15](=[N:21][C@@H:12]([CH2:5][CH2:6][S:27][CH3:3])[C:17](=[O:25])[OH:26])[OH:23])[OH:24])[NH2:18]

Parent-child relations graph

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