chempirical

Benzoyl-L-arginine

C13H18N4O3CAS 154-92-7278.31 g/mol

Open in Covalent MOL file
NHH2NHNNHOOOH
Carboxylic acidGuanidine

Properties

Molecular formula
C13H18N4O3
Molar mass
278.31 g/mol
Exact mass
278.1379 Da
logP
0.71Crippen estimate
Polar surface area
131.8 Ų
H-bond donors / acceptors
5 / 3
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
154-92-7
SMILES
N=C(N)NCCC[C@H](N=C(O)c1ccccc1)C(=O)O
InChIKey
RSYYQCDERUOEFI-JTQLQIEISA-N
InChI
InChI=1S/C13H18N4O3/c14-13(15)16-8-4-7-10(12(19)20)17-11(18)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,17,18)(H,19,20)(H4,14,15,16)/t10-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Nα-Benzoyl-L-arginine
  • N-Benzoyl-L-arginine
  • (2S)-2-Benzamido-5-(diaminomethylideneazaniumyl)pentanoate
  • (2S)-5-Carbamimidamido-2-(phenylformamido)pentanoic acid
  • L-Arginine, N2-benzoyl-
  • Arginine, N2-benzoyl-, L-
  • N2-Benzoyl-L-arginine
  • α-N-Benzoyl-L-arginine
  • α-N-Benzoylarginine

Work with Benzoyl-L-arginine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzoyl-L-arginine amide monohydrochloride4299-03-071 % similar Benzyloxycarbonyl-L-arginine1234-35-171 % similar N-Benzyloxycarbonyl-D-arginine6382-93-071 % similar N-Alpha-Benzoyl-L-arginine ethyl ester hydrochloride2645-08-167 % similar L-Arginine, N2-[(phenylmethoxy)carbonyl]-, hydrochloride (1:1)56672-63-067 % similar N-Acetyl-L-arginine155-84-063 % similar Nα-Benzoyl-L-arginine-p-nitroanilide hydrochloride21653-40-759 % similar N-Alpha-Benzoyl-DL-arginine-p-nitroanilide hydrochloride911-77-359 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Pentoxifylline6493-05-6

Elsewhere

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