chempirical

Benzyloxycarbonyl-L-arginine

C14H20N4O4CAS 1234-35-1308.34 g/mol

Open in Covalent MOL file
NHH2NHNNHOOOOH
Carboxylic acidGuanidine

Properties

Molecular formula
C14H20N4O4
Molar mass
308.34 g/mol
Exact mass
308.1485 Da
Melting point
175 °C
logP
0.83Crippen estimate
Polar surface area
141.0 Ų
H-bond donors / acceptors
5 / 4
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
1234-35-1
SMILES
N=C(N)NCCC[C@H](N=C(O)OCc1ccccc1)C(=O)O
InChIKey
SJSSFUMSAFMFNM-NSHDSACASA-N
InChI
InChI=1S/C14H20N4O4/c15-13(16)17-8-4-7-11(12(19)20)18-14(21)22-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,18,21)(H,19,20)(H4,15,16,17)/t11-/m0/s1

Weigh it out

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

Names and synonyms

10 names
  • L-Arginine, N2-[(phenylmethoxy)carbonyl]-
  • Arginine, N2-carboxy-, N2-benzyl ester, L-
  • Arginine, N2-carboxy-, N-benzyl ester
  • L-Arginine, N2-carboxy-, N-benzyl ester
  • N2-[(Phenylmethoxy)carbonyl]-L-arginine
  • N2-Benzyloxycarbonyl-L-arginine
  • N-Carbobenzoxyarginine
  • Nα-(Benzyloxycarbonyl)arginine
  • (2S)-2-[[(Benzyloxy)carbonyl]amino]-5-carbamimidamidopentanoic acid
  • (2S)-5-(Diaminomethylideneazaniumyl)-2-(phenylmethoxycarbonylamino)pentanoate

Work with Benzyloxycarbonyl-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

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.

N-Benzyloxycarbonyl-D-arginine6382-93-0Enantiomer L-Arginine, N2-[(phenylmethoxy)carbonyl]-, hydrochloride (1:1)56672-63-0Salt

Similar compounds

Benzoyl-L-arginine154-92-771 % similar N5-[Imino(nitroamino)methyl]-N2-[(phenylmethoxy)carbonyl]-L-ornithine2304-98-568 % similar N-α-Benzyloxycarbonyl-L-lysine2212-75-166 % similar N2-[(Phenylmethoxy)carbonyl]-L-glutamine2650-64-863 % similar N2,N6-Bis[(phenylmethoxy)carbonyl]-L-lysine405-39-063 % similar N-(Benzyloxycarbonyl)-L-glutamic acid1155-62-063 % similar N2-(tert-Butoxycarbonyl)-L-arginine13726-76-661 % similar N-((Phenylmethoxy)carbonyl)norvaline21691-43-061 % similar

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

Same formula

1,1-Dimethylethyl 4-(6-nitro-3-pyridinyl)-1-piperazinecarboxylate571189-16-7

Elsewhere

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