Fmoc-L-arginine

C₂₁H₂₄N₄O₄CAS 91000-69-0396.45 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Guanidine

Properties

Molecular formula: C₂₁H₂₄N₄O₄
Molar mass: 396.45 g/mol
Exact mass: 396.1798 Da
logP: 2.03Crippen estimate
Polar surface area: 140.0 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 8
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

91000-69-0

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCCN=C(N)N)C(=O)O

InChIKey

DVBUCBXGDWWXNY-SFHVURJKSA-N

InChI

InChI=1S/C21H24N4O4/c22-20(23)24-11-5-10-18(19(26)27)25-21(28)29-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,25,28)(H,26,27)(H4,22,23,24)/t18-/m0/s1

Weigh it out

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Work with Fmoc-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.

Fmoc-D-arg-oh130752-32-8Enantiomer

Similar compounds

Fmoc-homoarg-oh776277-76-094 % similar Fmoc-L-citrulline133174-15-972 % similar Fmoc-D-cit-oh200344-33-872 % similar Fmoc-lys-oh105047-45-871 % similar Fmoc-D-nle-oh112883-41-771 % similar (2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid77284-32-371 % similar Fmoc-arg(boc)2-oh143824-77-569 % similar Fmoc-lys(fmoc)-oh78081-87-568 % similar

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

Elsewhere

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