O-(1,1-Dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-threonine

C₂₄H₂₉NO₅CAS 117106-20-4411.50 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₂₄H₂₉NO₅
Molar mass: 411.50 g/mol
Exact mass: 411.2046 Da
Melting point: 44–46 °C
logP: 4.52Crippen estimate
Polar surface area: 76.1 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 6
Stereocentres: R, Sin SMILES atom order

Identifiers

CAS number

117106-20-4

SMILES

C[C@@H](OC(C)(C)C)[C@@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21

InChIKey

VIUVLZHFMIFLHU-VFNWGFHPSA-N

InChI

InChI=1S/C24H29NO5/c1-15(30-24(2,3)4)21(22(26)27)25(5)23(28)29-14-20-18-12-8-6-10-16(18)17-11-7-9-13-19(17)20/h6-13,15,20-21H,14H2,1-5H3,(H,26,27)/t15-,21+/m1/s1

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Names and synonyms

1 names

L-Threonine, O-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-

Work with O-(1,1-Dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-threonine

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

Fmoc-N-methyl-D-valine103478-58-673 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valine84000-11-373 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-alanine84000-07-766 % similar Fmoc-N-methyl-L-leucine103478-62-262 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-D-leucine103478-63-362 % similar N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylthreonine71989-35-061 % similar N-Alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-O-t-butyl-L-tyrosine133373-24-761 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-norvaline252049-05-160 % similar

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

Same formula

Sacubitril149709-62-6

Elsewhere

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