(2S,3R)-3-(Benzyloxy)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid

C₂₆H₂₅NO₅CAS 117872-75-0431.49 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₂₆H₂₅NO₅
Molar mass: 431.49 g/mol
Exact mass: 431.1733 Da
logP: 4.58Crippen estimate
Polar surface area: 84.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 8
Stereocentres: R, Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

117872-75-0

SMILES

C[C@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OCC4=CC=CC=C4

InChIKey

UCDMMWCWPVCHLL-OSPHWJPCSA-N

InChI

InChI=1S/C26H25NO5/c1-17(31-15-18-9-3-2-4-10-18)24(25(28)29)27-26(30)32-16-23-21-13-7-5-11-19(21)20-12-6-8-14-22(20)23/h2-14,17,23-24H,15-16H2,1H3,(H,27,30)(H,28,29)/t17-,24+/m1/s1

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Names and synonyms

1 names

Fmoc-thr(bzl)-oh

Work with (2S,3R)-3-(Benzyloxy)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid

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

Z-Thr(bzl)-oh69863-36-176 % similar Fmoc-O-(benzylphospho)-L-threonine175291-56-273 % similar Fmoc-O-trityl-L-threonine133180-01-571 % similar Fmoc-O-tert-butyl-D-threonine138797-71-470 % similar Fmoc-D-allo-thr(tbu)-oh170643-02-470 % similar Fmoc-allo-thr(tbu)-oh201481-37-070 % similar Fmoc-D-valine84624-17-970 % similar (2R,3S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxybutanoic acid157355-81-267 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-D-tyr(4-et)-OH162502-65-0

Elsewhere

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