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35793-73-8 molecular structure
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(2R)-5-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}-5-oxopentanoic acid

ChemBase ID: 106101
Molecular Formular: C17H23NO6
Molecular Mass: 337.36762
Monoisotopic Mass: 337.15253746
SMILES and InChIs

SMILES:
CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)O
Canonical SMILES:
O=C(OCc1ccccc1)CC[C@H](C(=O)O)NC(=O)OC(C)(C)C
InChI:
InChI=1S/C17H23NO6/c1-17(2,3)24-16(22)18-13(15(20)21)9-10-14(19)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,20,21)/t13-/m1/s1
InChIKey:
AJDUMMXHVCMISJ-CYBMUJFWSA-N

Cite this record

CBID:106101 http://www.chembase.cn/molecule-106101.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-5-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}-5-oxopentanoic acid
IUPAC Traditional name
(2R)-5-(benzyloxy)-2-[(tert-butoxycarbonyl)amino]-5-oxopentanoic acid
Synonyms
N-α-t-BOC-D-GLUTAMIC ACID γ-BENZYL ESTER
CAS Number
35793-73-8
PubChem SID
162094225
PubChem CID
7010513

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02199060 external link Add to cart Please log in.
Data Source Data ID
PubChem 7010513 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.7337904  H Acceptors
H Donor LogD (pH = 5.5) 0.6644428 
LogD (pH = 7.4) -0.8609401  Log P 2.4306026 
Molar Refractivity 85.5424 cm3 Polarizability 33.835136 Å3
Polar Surface Area 101.93 Å2 Rotatable Bonds 10 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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