3-[(2,4-Dinitrophenyl)amino]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine

C₂₄H₂₀N₄O₈CAS 140430-54-2492.44 g/mol

Open in Covalent MOL file

Carboxylic acid Nitro Secondary amine

Properties

Molecular formula: C₂₄H₂₀N₄O₈
Molar mass: 492.44 g/mol
Exact mass: 492.1281 Da
logP: 4.11Crippen estimate
Polar surface area: 177.4 Å²
H-bond donors / acceptors: 3 / 8
Rotatable bonds: 9
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

140430-54-2

SMILES

O=C(O)[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N=C(O)OCC1c2ccccc2-c2ccccc21

InChIKey

GLJCJFFDYXFRQX-NRFANRHFSA-N

InChI

InChI=1S/C24H20N4O8/c29-23(30)21(12-25-20-10-9-14(27(32)33)11-22(20)28(34)35)26-24(31)36-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,21,25H,12-13H2,(H,26,31)(H,29,30)/t21-/m0/s1

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Names and synonyms

1 names

L-Alanine, 3-[(2,4-dinitrophenyl)amino]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-

Work with 3-[(2,4-Dinitrophenyl)amino]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine

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-nitro-L-phenylalanine206060-42-667 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-nitro-D-phenylalanine478183-71-067 % similar (2R)-3-Cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid170642-29-253 % similar (αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]cyclopropanepropanoic acid214750-76-253 % similar Fmoc-L-phenylalanine35661-40-653 % similar (βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-nitrobenzenebutanoic acid270062-88-953 % similar Fmoc-L-propargylglycine198561-07-852 % similar Fmoc-leucine35661-60-052 % similar

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

Elsewhere

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