Benzoyl-L-citrulline-amide

Properties Image MNX_ID MNXM819710 reference sabiorkM:30413 formula C13H18N4O3 global charge 0 mol weight 278.312 InChIKey SKJZHESLTQXMNA-JTQLQIEISA-N InChI InChI=1S/C13H18N4O3/c14-11(18)10(7-4-8-16-13(15)20)17-12(19)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,14,18)(H,17,19)(H3,15,16,20)/t10-/m0/s1 SMILES N=C(O)NCCC[C@H](N=C(O)C1=CC=CC=C1)C(=N)O MNX internals InChI (mnx) InChI=1/C13H18N4O3/c14-11(18)10(7-4-8-16-13(15)20)17-12(19)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,14,18)(H,17,19)(H3,15,16,20)/t10-/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:5]=[C:9]([C:12](=[N:17][C@@H:10]([CH2:7][CH2:4][CH2:8][NH:16][C:13](=[NH:15])[OH:20])[C:11](=[NH:14])[OH:18])[OH:19])[CH:6]=[CH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0