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benzyl N-{4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butyl}carbamate
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ChemBase ID:
163639
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Molecular Formular:
C15H18N2O5
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Molecular Mass:
306.31382
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Monoisotopic Mass:
306.12157169
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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
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Cite this record
CBID:163639 http://www.chembase.cn/molecule-163639.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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benzyl N-{4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butyl}carbamate
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IUPAC Traditional name
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benzyl N-{4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butyl}carbamate
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Synonyms
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N-[(4S)-4-(2,5-Dioxo-4-oxazolidinyl)butyl]carbamic Acid Phenylmethyl Ester
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L-[4-(2,5-Dioxo-4-oxazolidinyl)butyl]carbamic Acid Benzyl Ester
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Lys(Z)-NCA
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(S)-[4-(2,5-Dioxo-4-oxazolidinyl)butyl]carbamic Acid Phenylmethyl Ester
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NCA-N-ε-Benzyloxycarbonyl-L-lysine
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Nε-Benzyloxycarbonyl-L-lysine N-Carboxyanhydride
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Nε-Benzyloxycarbonyl-L-lysine Carboxyanhydride
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Nε-Carbobenzoxylysine N-Carboxy Anhydride
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ε-Benzyloxycarbonyl-L-lysine N-Carboxyanhydride
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N6-Carbobenzoxy-L-lysine N-Carboxyanhydride
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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11.539129
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H Acceptors
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3
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H Donor
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2
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LogD (pH = 5.5)
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1.8784142
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LogD (pH = 7.4)
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1.8783866
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Log P
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1.8784145
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Molar Refractivity
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76.5824 cm3
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Polarizability
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30.12995 Å3
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Polar Surface Area
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93.73 Å2
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Rotatable Bonds
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8
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
DETAILS
DETAILS
TRC
Toronto Research Chemicals -
C175990
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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 |
PATENTS
PATENTS
PubChem Patent
Google Patent