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35661-60-0 molecular structure
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(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-methylpentanoic acid

ChemBase ID: 74078
Molecular Formular: C21H23NO4
Molecular Mass: 353.41162
Monoisotopic Mass: 353.16270822
SMILES and InChIs

SMILES:
O(CC1c2c(cccc2)c2c1cccc2)C(=O)N[C@@H](CC(C)C)C(=O)O
Canonical SMILES:
CC(C[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2)C
InChI:
InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKey:
CBPJQFCAFFNICX-IBGZPJMESA-N

Cite this record

CBID:74078 http://www.chembase.cn/molecule-74078.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-methylpentanoic acid
(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-methylpentanoic acid
IUPAC Traditional name
(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-methylpentanoic acid
Synonyms
Fmoc-L-leucine
Fmoc-Leu-OH
Fmoc-Leu-OH
L-Leucine, FMOC protected
N-(9-Fluorenylmethoxycarbonyl)-L-leucine
Fmoc-Leu-OH
N-(9-Fluorenylmethoxycarbonyl)-L-leucine
N-α-FMOC-L-LEUCINE
N-Fmoc-L-leucine
FMOC-L-Leucine
N-(9-芴甲氧羰基)-L-亮氨酸
Fmoc-L-亮氨酸
N-Fmoc-L-亮氨酸
CAS Number
35661-60-0
EC Number
252-662-7
MDL Number
MFCD00037133
MFCD00204311
Beilstein Number
2178254
PubChem SID
24871239
24865582
162038997
PubChem CID
1549133

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.911515  H Acceptors
H Donor LogD (pH = 5.5) 2.704829 
LogD (pH = 7.4) 1.0918231  Log P 4.299427 
Molar Refractivity 98.2507 cm3 Polarizability 39.52138 Å3
Polar Surface Area 75.63 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
152-154°C expand Show data source
152-155°C expand Show data source
152-156 °C expand Show data source
152-156 °C(lit.) expand Show data source
153-155°C expand Show data source
Optical Rotation
[α]20/D -25±2°, c = 1% in DMF expand Show data source
[α]20/D -25°, c = 0.5 in DMF expand Show data source
-25 (c=1 in DMF) expand Show data source
Storage Condition
0°C expand Show data source
Storage Warning
Irritant expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Safety Statements
22-24/25 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥97.0% expand Show data source
97% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C21H23NO4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 408611 external link
Biochem/physiol Actions
PPARγ ligand that induces insulin sensitization, but not adipogenesis.
Sigma Aldrich - 47633 external link
Biochem/physiol Actions
PPARγ ligand that induces insulin sensitization, but not adipogenesis.
Packaging
5, 50 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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