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1676-86-4 molecular structure
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benzyl N-{4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butyl}carbamate

ChemBase ID: 163639
Molecular Formular: C15H18N2O5
Molecular Mass: 306.31382
Monoisotopic Mass: 306.12157169
SMILES and InChIs

SMILES:
O1C(=O)[C@@H](NC1=O)CCCCNC(=O)OCc1ccccc1
Canonical SMILES:
O=C(OCc1ccccc1)NCCCC[C@@H]1NC(=O)OC1=O
InChI:
InChI=1S/C15H18N2O5/c18-13-12(17-15(20)22-13)8-4-5-9-16-14(19)21-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,16,19)(H,17,20)/t12-/m0/s1
InChIKey:
HLLIDIRDRPSCHN-LBPRGKRZSA-N

Cite this record

CBID:163639 http://www.chembase.cn/molecule-163639.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzyl N-{4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butyl}carbamate
IUPAC Traditional name
benzyl N-{4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butyl}carbamate
Synonyms
N-[(4S)-4-(2,5-Dioxo-4-oxazolidinyl)butyl]carbamic Acid Phenylmethyl Ester
L-[4-(2,5-Dioxo-4-oxazolidinyl)butyl]carbamic Acid Benzyl Ester
Lys(Z)-NCA
(S)-[4-(2,5-Dioxo-4-oxazolidinyl)butyl]carbamic Acid Phenylmethyl Ester
NCA-N-ε-Benzyloxycarbonyl-L-lysine
Nε-Benzyloxycarbonyl-L-lysine N-Carboxyanhydride
Nε-Benzyloxycarbonyl-L-lysine Carboxyanhydride
Nε-Carbobenzoxylysine N-Carboxy Anhydride
ε-Benzyloxycarbonyl-L-lysine N-Carboxyanhydride
N6-Carbobenzoxy-L-lysine N-Carboxyanhydride
CAS Number
1676-86-4
PubChem SID
162257774
PubChem CID
9948469

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC C175990 external link Add to cart
PubChem 9948469 external link
Data Source Data ID Price
TRC
C175990 external link Add to cart Please log in.
Data Source Data ID
PubChem 9948469 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.539129  H Acceptors
H Donor LogD (pH = 5.5) 1.8784142 
LogD (pH = 7.4) 1.8783866  Log P 1.8784145 
Molar Refractivity 76.5824 cm3 Polarizability 30.12995 Å3
Polar Surface Area 93.73 Å2 Rotatable Bonds
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

TRC TRC
Toronto Research Chemicals - C175990 external link
A L-lysine derivative used in the preparation of Polylysine, a synthetic, basic poly-α-amino acid. Polylysine inhibited fungal penetration and polyphenol formation in susceptible sweet potatoes infected with C. fimbriata and caused some inhibition of fung

REFERENCES

REFERENCES

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  • • Buchanan-Davidson, D.J., et al.: Science, 132, 1664 (1960)
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PATENTS

PATENTS

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INTERNET

INTERNET

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