chempirical

N-Alpha-Benzoyl-DL-arginine-p-nitroanilide hydrochloride

C19H23ClN6O4CAS 911-77-3434.88 g/mol

Open in Covalent MOL file
HClNHH2NNHNHOONHN+OO−
AmideGuanidineNitro

Properties

Molecular formula
C19H23ClN6O4
Molar mass
434.88 g/mol
Exact mass
434.1469 Da
logP
2.59Crippen estimate
Polar surface area
166.7 Ų
H-bond donors / acceptors
5 / 5
Rotatable bonds
9

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
911-77-3
SMILES
Cl.N=C(N)NCCCC(N=C(O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIKey
DEOKFPFLXFNAON-UHFFFAOYSA-N
InChI
InChI=1S/C19H22N6O4.ClH/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);1H

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Names and synonyms

7 names
  • N-α-Benzoyl-dl-arginine-P-nitroanilide hydrochloride
  • Benzamide, N-[4-[(aminoiminomethyl)amino]-1-[[(4-nitrophenyl)amino]carbonyl]butyl]-, hydrochloride (1:1)
  • Valeranilide, 2-benzamido-5-guanidino-4′-nitro-, monohydrochloride, DL-
  • Benzamide, N-[4-[(aminoiminomethyl)amino]-1-[[(4-nitrophenyl)amino]carbonyl]butyl]-, monohydrochloride, (±)-
  • Benzamide, N-[4-[(aminoiminomethyl)amino]-1-[[(4-nitrophenyl)amino]carbonyl]butyl]-, monohydrochloride
  • Nα-Benzoyl-DL-arginine-p-nitroanilide hydrochloride
  • NSC 83264

Work with N-Alpha-Benzoyl-DL-arginine-p-nitroanilide hydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Nα-Benzoyl-L-arginine-p-nitroanilide hydrochloride21653-40-7Defined stereoisomer

Similar compounds

Benzoyl-L-arginine amide monohydrochloride4299-03-061 % similar Benzoyl-L-arginine154-92-759 % similar N-Alpha-Benzoyl-L-arginine ethyl ester hydrochloride2645-08-158 % similar L-Arginine, N2-[(phenylmethoxy)carbonyl]-, hydrochloride (1:1)56672-63-048 % similar (S)-2-Amino-5-guanidino-N-(4-nitrophenyl)pentanamide dihydrochloride40127-11-547 % similar Benzyloxycarbonyl-L-arginine1234-35-144 % similar N-Benzyloxycarbonyl-D-arginine6382-93-044 % similar L-Alanine-4-nitroanilide hydrochloride31796-55-143 % similar

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

Elsewhere

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