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77284-32-3 molecular structure
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(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoic acid

ChemBase ID: 796814
Molecular Formular: C21H23NO4
Molecular Mass: 353.41162
Monoisotopic Mass: 353.16270822
SMILES and InChIs

SMILES:
CCCC[C@H](NC(=O)OCC1c2ccccc2c2c1cccc2)C(=O)O
Canonical SMILES:
CCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C21H23NO4/c1-2-3-12-19(20(23)24)22-21(25)26-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,2-3,12-13H2,1H3,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKey:
VCFCFPNRQDANPN-IBGZPJMESA-N

Cite this record

CBID:796814 http://www.chembase.cn/molecule-796814.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoic acid
IUPAC Traditional name
(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid
Synonyms
FMoc-L-Norleucine
CAS Number
77284-32-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O4460 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.911652  H Acceptors
H Donor LogD (pH = 5.5) 2.8625107 
LogD (pH = 7.4) 1.2494445  Log P 4.456977 
Molar Refractivity 98.3031 cm3 Polarizability 39.52138 Å3
Polar Surface Area 75.63 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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