(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-nitrophenyl)propanoic acid

C24H20N2O6CAS 478183-70-9432.43 g/mol

Open in Covalent MOL file
OOHNHOON+OO−
CarbamateCarboxylic acidNitro

Properties

Molecular formula
C24H20N2O6
Molar mass
432.43 g/mol
Exact mass
432.1321 Da
logP
4.13Crippen estimate
Polar surface area
118.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
7
Stereocentres
Rin 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
478183-70-9
SMILES
C1=CC=C(C(=C1)C[C@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)[N+](=O)[O-]
InChIKey
KVLRWXBYPKSBFY-OAQYLSRUSA-N
InChI
InChI=1S/C24H20N2O6/c27-23(28)21(13-15-7-1-6-12-22(15)26(30)31)25-24(29)32-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20-21H,13-14H2,(H,25,29)(H,27,28)/t21-/m1/s1

Weigh it out

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

Names and synonyms

1 names
  • Fmoc-D-2-nitrophenylalanine

Work with (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-nitrophenyl)propanoic acid

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.

(2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-nitrophenyl)propanoic acid210282-30-7Enantiomer

Similar compounds

Fmoc-3-nitro-L-tyrosine136590-09-575 % similar Fmoc-L-2-chlorophe198560-41-769 % similar Fmoc-2-chloro-D-phenylalanine205526-22-369 % similar Fmoc-L-2-bromophenylalanine220497-47-269 % similar Fmoc-D-2-bromophenylalanine220497-79-069 % similar Boc-L-2-nitrophenylalanine185146-84-368 % similar Boc-2-nitro-D-phenylalanine478183-69-668 % similar Fmoc-L-2-methylphe211637-75-168 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-4-nitro-D-phenylalanine177966-63-1 Fmoc-L-3-nitrophenylalanine206060-42-6 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-nitro-D-phenylalanine478183-71-0 Fmoc-4-nitro-L-phenylalanine95753-55-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook