N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-methionine

C₂₀H₂₁NO₄SCAS 71989-28-1371.45 g/mol

Open in Covalent MOL file

Carboxylic acid Sulfide

Properties

Molecular formula: C₂₀H₂₁NO₄S
Molar mass: 371.45 g/mol
Exact mass: 371.1191 Da
Melting point: 132–136 °C
logP: 3.94Crippen estimate
Polar surface area: 79.1 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 7
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed12.5% of notifiers
H312 Harmful in contact with skin12.5% of notifiers
H315 Causes skin irritation37.5% of notifiers
H319 Causes serious eye irritation37.5% of notifiers
H332 Harmful if inhaled12.5% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

71989-28-1

SMILES

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

InChIKey

BUBGAUHBELNDEW-SFHVURJKSA-N

InChI

InChI=1S/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/t18-/m0/s1

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Names and synonyms

13 names · show all

L-Methionine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
N-(9-Fluorenylmethoxycarbonyl)methionine
N-Fluorenylmethoxycarbonyl-L-methionine
N-(9-Fluorenylmethoxycarbonyl)-L-methionine
NSC 334292
(S)-N-Fmoc-methionine
915: PN: WO2006135786 PAGE: 59 claimed protein
(S)-2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-4-methylsulfanylbutanoic acid
224: PN: US20070042401 PAGE: 30 claimed protein
L-Fmoc-methionine
(2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanylbutanoic acid
(2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-(methylsulfanyl)butanoic acid
(2S)-2-([[(9H-Fluoren-9-yl)methoxy]carbonyl]amino)-4-(methylsulfanyl)butanoic acid

Work with N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-methionine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

D-Fmoc-methionine112883-40-6Enantiomer

Similar compounds

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-5-methyl-L-norleucine180414-94-274 % similar (2R)-3-Cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid170642-29-270 % similar (2S)-3-Cyclopropyl-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)propanoic acid214750-76-270 % similar 5-Methyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate145038-50-270 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-methionine 2,3,4,5,6-pentafluorophenyl ester86060-94-869 % similar Fmoc-leucine35661-60-069 % similar (2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-(methylsulfinyl)butanoic acid76265-70-868 % similar N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-D-glutamine112898-00-768 % similar

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

Elsewhere

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