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269078-74-2 molecular structure
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(4R)-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-phenylpentanoic acid

ChemBase ID: 139368
Molecular Formular: C26H25NO4
Molecular Mass: 415.481
Monoisotopic Mass: 415.17835829
SMILES and InChIs

SMILES:
c1ccc(cc1)C[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Canonical SMILES:
OC(=O)CC[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C26H25NO4/c28-25(29)15-14-19(16-18-8-2-1-3-9-18)27-26(30)31-17-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,19,24H,14-17H2,(H,27,30)(H,28,29)/t19-/m1/s1
InChIKey:
GQTVSSUIIKDXQC-LJQANCHMSA-N

Cite this record

CBID:139368 http://www.chembase.cn/molecule-139368.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4R)-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-phenylpentanoic acid
IUPAC Traditional name
(4R)-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-phenylpentanoic acid
Synonyms
(R)-4-(Fmoc-amino)-5-phenylvaleric acid
Fmoc-γ-L-dihomo-phenylalanine
(R)-4-(Fmoc-amino)-5-phenylpentanoic acid
(R)-4-(Fmoc-氨基)-5-苯基缬草酸
Fmoc-γ-L-二高-苯丙氨酸
(R)-4-(Fmoc-氨基)-5-苯基戊酸
CAS Number
269078-74-2
MDL Number
MFCD01074522
PubChem SID
24889917
162233616
PubChem CID
2756157

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
93669 external link Add to cart Please log in.
Data Source Data ID
PubChem 2756157 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.319361  H Acceptors
H Donor LogD (pH = 5.5) 3.8686845 
LogD (pH = 7.4) 2.1263154  Log P 5.075128 
Molar Refractivity 118.5754 cm3 Polarizability 47.28933 Å3
Polar Surface Area 75.63 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
German water hazard class
3 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% expand Show data source
Empirical Formula (Hill Notation)
C26H25NO4 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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