chempirical

Nalpha-(tert-butoxycarbonyl)-L-arginine 4-nitroanilide hydrochloride

C17H27ClN6O5CAS 99306-64-6430.89 g/mol

Open in Covalent MOL file
OONHNH2NNH2OHNN+OO−HCl
AmideCarbamateGuanidineNitro

Properties

Molecular formula
C17H27ClN6O5
Molar mass
430.89 g/mol
Exact mass
430.1731 Da
logP
1.90Crippen estimate
Polar surface area
175.0 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
8
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
99306-64-6
SMILES
CC(C)(C)OC(=O)N[C@@H](CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-].Cl
InChIKey
OUVONNGVXPOXGB-ZOWNYOTGSA-N
InChI
InChI=1S/C17H26N6O5.ClH/c1-17(2,3)28-16(25)22-13(5-4-10-20-15(18)19)14(24)21-11-6-8-12(9-7-11)23(26)27;/h6-9,13H,4-5,10H2,1-3H3,(H,21,24)(H,22,25)(H4,18,19,20);1H/t13-;/m0./s1

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Names and synonyms

1 names
  • (S)-tert-Butyl (5-guanidino-1-((4-nitrophenyl)amino)-1-oxopentan-2-yl)carbamate hydrochloride

Work with Nalpha-(tert-butoxycarbonyl)-L-arginine 4-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

(S)-2-Amino-5-guanidino-N-(4-nitrophenyl)pentanamide dihydrochloride40127-11-565 % similar Boc-D-4-nitrophe61280-75-948 % similar L-Alanine-4-nitroanilide hydrochloride31796-55-146 % similar Boc-D-phe-ONp16159-70-945 % similar Boc-N'-nitro-L-homoarginine28968-64-143 % similar (S)-3-((tert-Butoxycarbonyl)amino)-4-(4-nitrophenyl)butanoic acid127106-71-243 % similar Boc-(R)-3-amino-4-(4-nitro-phenyl)-butyric acid219297-12-843 % similar Boc-asp(obzl)-onp26048-69-143 % similar

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

Elsewhere

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