chempirical

Nα-Benzoyl-L-arginine-p-nitroanilide hydrochloride

C19H23ClN6O4CAS 21653-40-7434.88 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
Melting point
261–262 °C
logP
2.59Crippen estimate
Polar surface area
166.7 Ų
H-bond donors / acceptors
5 / 5
Rotatable bonds
9
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
21653-40-7
SMILES
Cl.N=C(N)NCCC[C@H](N=C(O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIKey
DEOKFPFLXFNAON-NTISSMGPSA-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/t16-;/m0./s1

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

Names and synonyms

4 names
  • Benzamide, N-[(1S)-4-[(aminoiminomethyl)amino]-1-[[(4-nitrophenyl)amino]carbonyl]butyl]-, hydrochloride (1:1)
  • Valeranilide, 2-benzamido-5-guanidino-4′-nitro-, monohydrochloride, L-
  • Benzamide, N-[4-[(aminoiminomethyl)amino]-1-[[(4-nitrophenyl)amino]carbonyl]butyl]-, monohydrochloride, (S)-
  • Benzamide, N-[(1S)-4-[(aminoiminomethyl)amino]-1-[[(4-nitrophenyl)amino]carbonyl]butyl]-, monohydrochloride

Work with Nα-Benzoyl-L-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

Similar compounds

Benzoyl-L-arginine amide monohydrochloride4299-03-061 % similar Benzoyl-L-arginine154-92-759 % similar N-Benzoyl-L-arginine ethyl ester hydrochloride2645-08-158 % similar L-Arginine, N2-[(phenylmethoxy)carbonyl]-, hydrochloride (1:1)56672-63-048 % similar Benzyloxycarbonyl-L-arginine1234-35-144 % similar N-Benzyloxycarbonyl-D-arginine6382-93-044 % similar L-Alanine-4-nitroanilide hydrochloride31796-55-143 % similar N-(4-Nitrophenyl)benzamide3393-96-241 % similar

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

Same formula

N-α-Benzoyl-dl-arginine-P-nitroanilide hydrochloride911-77-3

Elsewhere

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