N-[[1-(5-Fluoropentyl)-1H-indol-3-yl]carbonyl]valine methyl ester

C₂₀H₂₇FN₂O₃CAS 1616253-26-9362.45 g/mol

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Alkyl halide Ester

Properties

Molecular formula: C₂₀H₂₇FN₂O₃
Molar mass: 362.45 g/mol
Exact mass: 362.2006 Da
logP: 4.28Crippen estimate
Polar surface area: 63.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 9

Identifiers

CAS number

1616253-26-9

SMILES

COC(=O)C(N=C(O)c1cn(CCCCCF)c2ccccc12)C(C)C

InChIKey

JFXASAFVUQVGEW-UHFFFAOYSA-N

InChI

InChI=1S/C20H27FN2O3/c1-14(2)18(20(25)26-3)22-19(24)16-13-23(12-8-4-7-11-21)17-10-6-5-9-15(16)17/h5-6,9-10,13-14,18H,4,7-8,11-12H2,1-3H3,(H,22,24)

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Names and synonyms

1 names

Valine, N-[[1-(5-fluoropentyl)-1H-indol-3-yl]carbonyl]-, methyl ester

Work with N-[[1-(5-Fluoropentyl)-1H-indol-3-yl]carbonyl]valine methyl ester

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Similar compounds

L-Valine, N-[[1-(5-fluoropentyl)-1H-indol-3-yl]carbonyl]-3-methyl-, methyl ester1971007-88-174 % similar (2R,3S)-N-Benzoyl-3-phenylisoserine methyl ester32981-85-434 % similar Bim-1133052-90-133 % similar 1-(Phenylmethyl)-1H-indole-3-carboxylic acid27018-76-432 % similar N-Benzyloxycarbonyl-L-valine N-hydroxysuccinimide ester3496-11-531 % similar

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

Elsewhere

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