danegaptide

Properties Image MNX_ID MNXM48741 reference chebi:177853 formula C14H17N3O4 global charge 0 mol weight 291.307 InChIKey BIZKIHUJGMSVFD-MNOVXSKESA-N InChI InChI=1S/C14H17N3O4/c15-7-12(18)17-8-10(6-11(17)14(20)21)16-13(19)9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,19)(H,20,21)/t10-,11+/m1/s1 SMILES NCC(=O)N1C[C@H](NC(=O)C2=CC=CC=C2)C[C@H]1C(=O)O MNX internals InChI (mnx) InChI=1/C14H17N3O4/c15-7-12(18)17-8-10(6-11(17)14(20)21)16-13(19)9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,19)(H,20,21)/t10-,11+/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:9]([C:13](=[N:16][C@@H:10]2[CH2:6][C@@H:11]([C:14](=[O:20])[OH:21])[N:17]([C:12]([CH2:7][NH2:15])=[O:18])[CH2:8]2)[OH:19])[CH:5]=[CH:3]1

Parent-child relations graph

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