Fmoc-allo-thr(tbu)-oh

C₂₃H₂₇NO₅CAS 201481-37-0397.47 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₂₃H₂₇NO₅
Molar mass: 397.47 g/mol
Exact mass: 397.1889 Da
logP: 4.18Crippen estimate
Polar surface area: 84.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 6
Stereocentres: S, Sin SMILES atom order

Identifiers

CAS number

201481-37-0

SMILES

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

InChIKey

LZOLWEQBVPVDPR-XOBRGWDASA-N

InChI

InChI=1S/C23H27NO5/c1-14(29-23(2,3)4)20(21(25)26)24-22(27)28-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20H,13H2,1-4H3,(H,24,27)(H,25,26)/t14-,20-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Fmoc-L-allo-Thr(tBu)-OH

Work with Fmoc-allo-thr(tbu)-oh

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-O-trityl-L-threonine133180-01-578 % similar (2S,3R)-3-(Benzyloxy)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid117872-75-070 % similar Fmoc-thr(tbu)-ol189337-28-870 % similar (2R,3S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxybutanoic acid157355-81-269 % similar Fmoc-D-allo-ile-oh118904-37-366 % similar 9-Fluorenylmethyloxycarbonyl-D-Ser(t-butyl)-OH128107-47-166 % similar Fmoc-D-ile-oh143688-83-966 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid132684-60-764 % similar

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

Same formula

Nalpha-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-threonine tert-Butyl Ester120791-76-6 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

PubChem CAS Common Chemistry NIST WebBook