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

C₂₁H₂₉FN₂O₃CAS 1971007-88-1376.47 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₂₁H₂₉FN₂O₃
Molar mass: 376.47 g/mol
Exact mass: 376.2162 Da
logP: 4.67Crippen estimate
Polar surface area: 63.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 8
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

1971007-88-1

SMILES

COC(=O)[C@@H](N=C(O)c1cn(CCCCCF)c2ccccc12)C(C)(C)C

InChIKey

CHSUEEBESACQDV-GOSISDBHSA-N

InChI

InChI=1S/C21H29FN2O3/c1-21(2,3)18(20(26)27-4)23-19(25)16-14-24(13-9-5-8-12-22)17-11-7-6-10-15(16)17/h6-7,10-11,14,18H,5,8-9,12-13H2,1-4H3,(H,23,25)/t18-/m1/s1

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Similar compounds

N-[[1-(5-Fluoropentyl)-1H-indol-3-yl]carbonyl]valine methyl ester1616253-26-974 % similar (2R,3S)-N-Benzoyl-3-phenylisoserine methyl ester32981-85-434 % similar Bim-1133052-90-132 % similar 1-(Phenylmethyl)-1H-indole-3-carboxylic acid27018-76-432 % similar

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

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