chempirical

N-tert-Butoxycarbonyl-L-arginine

C11H22N4O4CAS 13726-76-6274.32 g/mol

Open in Covalent MOL file
OONHNHNHNH2OHO
Carboxylic acidGuanidine

Properties

Molecular formula
C11H22N4O4
Molar mass
274.32 g/mol
Exact mass
274.1641 Da
Melting point
121–124 °C
logP
0.43Crippen estimate
Polar surface area
141.0 Ų
H-bond donors / acceptors
5 / 4
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
13726-76-6
SMILES
CC(C)(C)OC(O)=N[C@@H](CCCNC(=N)N)C(=O)O
InChIKey
HSQIYOPBCOPMSS-ZETCQYMHSA-N
InChI
InChI=1S/C11H22N4O4/c1-11(2,3)19-10(18)15-7(8(16)17)5-4-6-14-9(12)13/h7H,4-6H2,1-3H3,(H,15,18)(H,16,17)(H4,12,13,14)/t7-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • L-Arginine, N2-[(1,1-dimethylethoxy)carbonyl]-
  • Arginine, N2-carboxy-, N2-tert-butyl ester, L-
  • N2-[(1,1-Dimethylethoxy)carbonyl]-L-arginine
  • N-α-Butyloxycarbonyl-L-arginine
  • N2-tert-Butoxycarbonyl-L-arginine
  • (S)-2-[(tert-Butoxycarbonyl)amino]-5-guanidinopentanoic acid
  • Boc-L-arginine
  • (2S)-5-(Diaminomethylideneazaniumyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
  • (2S)-2-[[(tert-Butoxy)carbonyl]amino]-5-carbamimidamidopentanoic acid

Work with N-tert-Butoxycarbonyl-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

D-Arginine, N2-[(1,1-dimethylethoxy)carbonyl]-, hydrochloride (1:1)113712-06-494 % similar N2-tert-Butyloxycarbonyl-L-arginine monohydrochloride35897-34-894 % similar D-Arginine, N2-[(1,1-dimethylethoxy)carbonyl]-, monohydrochloride, monohydrate204070-00-888 % similar N-Acetyl-L-arginine155-84-065 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[imino(nitroamino)methyl]-L-ornithine2188-18-364 % similar α-tert-Butoxycarbonyl-L-lysine13734-28-663 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine55674-63-062 % similar N-tert-Butoxycarbonyl-L-norleucine6404-28-062 % similar

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

Elsewhere

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