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352351-61-2 molecular structure
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(2R)-3-(2,4-dichlorophenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

ChemBase ID: 813583
Molecular Formular: C24H19Cl2NO4
Molecular Mass: 456.31796
Monoisotopic Mass: 455.06911345
SMILES and InChIs

SMILES:
N([C@H](Cc1c(cc(cc1)Cl)Cl)C(=O)O)C(=O)OCC1c2ccccc2c2c1cccc2
Canonical SMILES:
O=C(N[C@@H](C(=O)O)Cc1ccc(cc1Cl)Cl)OCC1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C24H19Cl2NO4/c25-15-10-9-14(21(26)12-15)11-22(23(28)29)27-24(30)31-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-10,12,20,22H,11,13H2,(H,27,30)(H,28,29)/t22-/m1/s1
InChIKey:
PGIMVGROPOKRNA-JOCHJYFZSA-N

Cite this record

CBID:813583 http://www.chembase.cn/molecule-813583.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-3-(2,4-dichlorophenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
IUPAC Traditional name
(2R)-3-(2,4-dichlorophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid
Synonyms
FMOC-D-2,4-DICHLOROPHENYLALANINE
CAS Number
352351-61-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35432 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35432 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.708439  H Acceptors
H Donor LogD (pH = 5.5) 4.119079 
LogD (pH = 7.4) 2.6076777  Log P 5.909733 
Molar Refractivity 118.8057 cm3 Polarizability 47.328777 Å3
Polar Surface Area 75.63 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

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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