Home > Compound List > Compound details
133373-24-7 molecular structure
click picture or here to close

(2S)-3-[4-(tert-butoxy)phenyl]-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)propanoic acid

ChemBase ID: 796978
Molecular Formular: C29H31NO5
Molecular Mass: 473.56014
Monoisotopic Mass: 473.2202231
SMILES and InChIs

SMILES:
N([C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)O)(C)C(=O)OCC1c2ccccc2c2c1cccc2
Canonical SMILES:
O=C(N([C@H](C(=O)O)Cc1ccc(cc1)OC(C)(C)C)C)OCC1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C29H31NO5/c1-29(2,3)35-20-15-13-19(14-16-20)17-26(27(31)32)30(4)28(33)34-18-25-23-11-7-5-9-21(23)22-10-6-8-12-24(22)25/h5-16,25-26H,17-18H2,1-4H3,(H,31,32)/t26-/m0/s1
InChIKey:
WTLSDEYZKFJXFT-SANMLTNESA-N

Cite this record

CBID:796978 http://www.chembase.cn/molecule-796978.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-3-[4-(tert-butoxy)phenyl]-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)propanoic acid
IUPAC Traditional name
(2S)-3-[4-(tert-butoxy)phenyl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}propanoic acid
Synonyms
FMoc-N-Methyl-O-t-butyl-L-tyrosine
CAS Number
133373-24-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O5215 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O5215 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.5502422  H Acceptors
H Donor LogD (pH = 5.5) 3.8782847 
LogD (pH = 7.4) 2.4618447  Log P 5.821608 
Molar Refractivity 134.3616 cm3 Polarizability 53.480583 Å3
Polar Surface Area 76.07 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle