Home > Compound List > Compound details
199110-64-0 molecular structure
click picture or here to close

(2R)-2-amino-3-(4-{4-[(2R)-2-carboxy-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)ethyl]phenyl}phenyl)propanoic acid

ChemBase ID: 815954
Molecular Formular: C33H30N2O6
Molecular Mass: 550.6011
Monoisotopic Mass: 550.21038669
SMILES and InChIs

SMILES:
N([C@H](Cc1ccc(cc1)c1ccc(C[C@@H](N)C(=O)O)cc1)C(=O)O)C(=O)OCC1c2ccccc2c2c1cccc2
Canonical SMILES:
O=C(N[C@@H](C(=O)O)Cc1ccc(cc1)c1ccc(cc1)C[C@H](C(=O)O)N)OCC1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C33H30N2O6/c34-29(31(36)37)17-20-9-13-22(14-10-20)23-15-11-21(12-16-23)18-30(32(38)39)35-33(40)41-19-28-26-7-3-1-5-24(26)25-6-2-4-8-27(25)28/h1-16,28-30H,17-19,34H2,(H,35,40)(H,36,37)(H,38,39)/t29-,30-/m1/s1
InChIKey:
FHGMXAJOAFVNDV-LOYHVIPDSA-N

Cite this record

CBID:815954 http://www.chembase.cn/molecule-815954.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-amino-3-(4-{4-[(2R)-2-carboxy-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)ethyl]phenyl}phenyl)propanoic acid
IUPAC Traditional name
(2R)-2-amino-3-(4-{4-[(2R)-2-carboxy-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}ethyl]phenyl}phenyl)propanoic acid
Synonyms
FMOC-L-4,4'-BIPHENYLALANINE
FMOC-D-4,4'-BIPHENYLALANINE

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Rotatable Bonds 11  Lipinski's Rule of Five false 
Acid pKa 2.4488757  H Acceptors
H Donor LogD (pH = 5.5) 1.6073964 
LogD (pH = 7.4) -0.014103985  Log P 3.0652876 
Molar Refractivity 153.3906 cm3 Polarizability 62.107517 Å3
Polar Surface Area 138.95 Å2

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% 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