Fmoc-L-3-nitrophenylalanine

C₂₄H₂₀N₂O₆CAS 206060-42-6432.43 g/mol

Open in Covalent MOL file

Carboxylic acid Nitro

Properties

Molecular formula: C₂₄H₂₀N₂O₆
Molar mass: 432.43 g/mol
Exact mass: 432.1321 Da
logP: 4.33Crippen estimate
Polar surface area: 122.3 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 7
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

206060-42-6

SMILES

O=C(O)[C@H](Cc1cccc([N+](=O)[O-])c1)N=C(O)OCC1c2ccccc2-c2ccccc21

InChIKey

UDIZJKKIJYRJIN-QFIPXVFZSA-N

InChI

InChI=1S/C24H20N2O6/c27-23(28)22(13-15-6-5-7-16(12-15)26(30)31)25-24(29)32-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H,25,29)(H,27,28)/t22-/m0/s1

Weigh it out

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

Names and synonyms

2 names

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-nitro-L-phenylalanine
L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-nitro-

Work with Fmoc-L-3-nitrophenylalanine

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-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-nitro-D-phenylalanine478183-71-0Enantiomer

Similar compounds

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-fluoro-D-phenylalanine198545-72-171 % similar Fmoc-L-phenylalanine35661-40-671 % similar Fmoc-L-3-methylphenylalanine211637-74-070 % similar 3-Bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanine220497-48-370 % similar Fmoc-3,4-dichloro-D-phenylalanine177966-58-468 % similar Fmoc-3,4-dichloro-L-phenylalanine177966-59-568 % similar Fmoc-D-3-cyanophenylalanine205526-37-068 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-((2,4-dinitrophenyl)amino)propanoic acid140430-54-267 % similar

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

Same formula

Fmoc-4-nitro-D-phenylalanine177966-63-1 (2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-nitrophenyl)propanoic acid210282-30-7 (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-nitrophenyl)propanoic acid478183-70-9 Fmoc-4-nitro-L-phenylalanine95753-55-2

Elsewhere

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