chempirical

Fmoc-3-nitro-L-tyrosine

C24H20N2O7CAS 136590-09-5448.43 g/mol

Open in Covalent MOL file
OOHNOHN+OO−OOH
CarbamateCarboxylic acidNitroPhenol

Properties

Molecular formula
C24H20N2O7
Molar mass
448.43 g/mol
Exact mass
448.1271 Da
logP
3.83Crippen estimate
Polar surface area
139.0 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
136590-09-5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC(=C(C=C4)O)[N+](=O)[O-])C(=O)O
InChIKey
JZUZJVFERQWLNC-FQEVSTJZSA-N
InChI
InChI=1S/C24H20N2O7/c27-22-10-9-14(12-21(22)26(31)32)11-20(23(28)29)25-24(30)33-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-10,12,19-20,27H,11,13H2,(H,25,30)(H,28,29)/t20-/m0/s1

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Work with Fmoc-3-nitro-L-tyrosine

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

Fmoc-4-nitro-D-phenylalanine177966-63-175 % similar (2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-nitrophenyl)propanoic acid210282-30-775 % similar Fmoc-D-tyr-oh112883-29-166 % similar Fmoc-2-nal-oh112883-43-966 % similar Fmoc-3-(2-naphthyl)-D-alanine138774-94-466 % similar Fmoc-phe-oh286460-71-764 % similar Fmoc-D-3,4-difluorophe198545-59-464 % similar Fmoc-L-4,4'-biphenylalanine199110-64-063 % similar

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

Elsewhere

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