Nalpha-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-threonine tert-Butyl Ester

C₂₃H₂₇NO₅CAS 120791-76-6397.47 g/mol

Open in Covalent MOL file

Alcohol Carbamate Ester

Properties

Molecular formula: C₂₃H₂₇NO₅
Molar mass: 397.47 g/mol
Exact mass: 397.1889 Da
logP: 3.62Crippen estimate
Polar surface area: 84.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 5
Stereocentres: R, Sin SMILES atom order

Identifiers

CAS number

120791-76-6

SMILES

C[C@H]([C@@H](C(=O)OC(C)(C)C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O

InChIKey

LMRQPSBMLDCJGN-VLIAUNLRSA-N

InChI

InChI=1S/C23H27NO5/c1-14(25)20(21(26)29-23(2,3)4)24-22(27)28-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20,25H,13H2,1-4H3,(H,24,27)/t14-,20+/m1/s1

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Names and synonyms

1 names

Nalpha-fmoc-L-threonine tert-butyl ester

Work with Nalpha-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-threonine tert-Butyl Ester

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

(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid129460-09-964 % similar Fmoc-D-glu-otbu109745-15-562 % similar Fmoc-gla(otbu)2-oh111662-64-762 % similar N-Alpha-tert-Butyloxycarbonylaspartic acid beta-fluorenylmethyl ester129046-87-359 % similar Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-357 % similar 9-Fluorenylmethyloxycarbonyl-D-Ser(t-butyl)-OH128107-47-155 % similar Boc-asp(ofm)-oh117014-32-155 % similar Boc-dap(fmoc)-oh122235-70-555 % similar

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

Same formula

Fmoc-O-tert-butyl-D-threonine138797-71-4 Fmoc-L-statine158257-40-0 Fmoc-D-allo-thr(tbu)-oh170643-02-4 N-Fmoc-N-methyl-O-tert-butyl-L-serine197632-77-2 (3R)-4-(1,1-Dimethylethoxy)-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]butanoic acid203854-51-7 N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylthreonine71989-35-0 O-(1,1-Dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-methyl-L-serine914399-98-7

Elsewhere

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