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

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

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

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Names and synonyms

1 names

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

Work with N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-nitro-L-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-D-phenylalanine478183-71-0

Elsewhere

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