chempirical

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-nitro-D-phenylalanine

C24H20N2O6CAS 478183-71-0432.43 g/mol

Open in Covalent MOL file
OOHN+OO−NHOO
Carboxylic acidNitro

Properties

Molecular formula
C24H20N2O6
Molar mass
432.43 g/mol
Exact mass
432.1321 Da
logP
4.33Crippen estimate
Polar surface area
122.3 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
7
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
478183-71-0
SMILES
O=C(O)[C@@H](Cc1cccc([N+](=O)[O-])c1)N=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
UDIZJKKIJYRJIN-JOCHJYFZSA-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-/m1/s1

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Names and synonyms

3 names
  • D-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-nitro-
  • 989: PN: WO2006135786 PAGE: 71 claimed sequence
  • 282: PN: US20070042401 PAGE: 38 claimed sequence

Work with N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-nitro-D-phenylalanine

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

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-fluoro-D-phenylalanine198545-72-171 % similar Fmoc-L-phenylalanine35661-40-671 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-methyl-L-phenylalanine211637-74-070 % similar 3-Bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanine220497-48-370 % similar 3,4-Dichloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine177966-58-468 % similar 3,4-Dichloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanine177966-59-568 % similar 3-Cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine205526-37-068 % similar 3-[(2,4-Dinitrophenyl)amino]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine140430-54-267 % similar

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

Same formula

Fmoc-4-nitro-D-phenylalanine177966-63-1 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-nitro-L-phenylalanine206060-42-6

Elsewhere

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