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201473-90-7 molecular structure
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(2S)-2,3-bis({[(9H-fluoren-9-ylmethoxy)carbonyl]amino})propanoic acid

ChemBase ID: 38595
Molecular Formular: C33H28N2O6
Molecular Mass: 548.58522
Monoisotopic Mass: 548.19473663
SMILES and InChIs

SMILES:
[C@@H](CNC(=O)OCC1c2c(c3c1cccc3)cccc2)(NC(=O)OCC1c2c(c3c1cccc3)cccc2)C(=O)O
Canonical SMILES:
O=C(OCC1c2ccccc2c2c1cccc2)NC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C33H28N2O6/c36-31(37)30(35-33(39)41-19-29-26-15-7-3-11-22(26)23-12-4-8-16-27(23)29)17-34-32(38)40-18-28-24-13-5-1-9-20(24)21-10-2-6-14-25(21)28/h1-16,28-30H,17-19H2,(H,34,38)(H,35,39)(H,36,37)/t30-/m0/s1
InChIKey:
CEEGOSWFFHSPHM-PMERELPUSA-N

Cite this record

CBID:38595 http://www.chembase.cn/molecule-38595.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2,3-bis({[(9H-fluoren-9-ylmethoxy)carbonyl]amino})propanoic acid
IUPAC Traditional name
(2S)-2,3-bis({[(9H-fluoren-9-ylmethoxy)carbonyl]amino})propanoic acid
Synonyms
Nα,Nβ-di-Fmoc-L-2,3-diaminopropionic acid
Fmoc-3-(Fmoc-amino)-L-alanine
Fmoc-Dap(Fmoc)-OH
Di-Fmoc-L-alpha,beta-diaminopropionic acid
Nα,Nβ-二芴甲氧羰基-L-2,3-二氨基丙酸
Fmoc-3-(Fmoc-氨基)-L-丙氨酸
CAS Number
201473-90-7
MDL Number
MFCD00237005
PubChem SID
161001902
24886685
PubChem CID
2756104

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2756104 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.634058  H Acceptors
H Donor LogD (pH = 5.5) 3.6530619 
LogD (pH = 7.4) 2.1847043  Log P 5.515554 
Molar Refractivity 151.8581 cm3 Polarizability 61.234753 Å3
Polar Surface Area 113.96 Å2 Rotatable Bonds 10 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
false 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% (HPLC) expand Show data source
Empirical Formula (Hill Notation)
C33H28N2O6 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 74391 external link
Packaging
500 mg in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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