EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:57505 - N-benzoyl-D-argininium-4-nitroanilide(1+)

Default Structure
ChEBI IDCHEBI:57505
ChEBI NameN-benzoyl-D-argininium-4-nitroanilide(1+)
Stars
ASCII NameN-benzoyl-D-argininium-4-nitroanilide(1+)
DefinitionConjugate acid of N-benzoyl-D-arginine-4-nitroanilide arsing from protonation of the side-chain guanidine function of the arginine residue.
Last Modified13 November 2017
DownloadsMolfile
FormulaC19H23N6O4
Net Charge+1
Average Mass399.431
Monoisotopic Mass399.17753
SMILESNC(=[NH2+])NCCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H22N6O4/c20-19(21)22-12-4-7-16(24-17(26)13-5-2-1-3-6-13)18(27)23-14-8-10-15(11-9-14)25(28)29/h1-3,5-6,8-11,16H,4,7,12H2,(H,23,27)(H,24,26)(H4,20,21,22)/p+1/t16-/m1/s1
InChIKeyRKDYKIHMFYAPMZ-MRXNPFEDSA-O
ChEBI Ontology
Outgoing Relation(s)
N-benzoyl-D-argininium-4-nitroanilide(1+) (CHEBI:57505) is a guanidinium ion (CHEBI:60251)
N-benzoyl-D-argininium-4-nitroanilide(1+) (CHEBI:57505) is conjugate acid of N-benzoyl-D-arginine-4-nitroanilide (CHEBI:15766)
Incoming Relation(s)
N-benzoyl-D-arginine-4-nitroanilide (CHEBI:15766) is conjugate base of N-benzoyl-D-argininium-4-nitroanilide(1+) (CHEBI:57505)
IUPAC Name 
amino({(4R)-4-(benzoylamino)-5-[(4-nitrophenyl)amino]-5-oxopentyl}amino)methaniminium
Synonym  Source
N-benzoyl-D-argininium-4-nitroanilide cationChEBI
UniProt Name  Source
N2-benzoyl-D-arginine-4-nitroanilideUniProt