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67953-08-6 molecular structure
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2-amino-4-[(4-nitrophenyl)carbamoyl]butanoic acid hydrochloride

ChemBase ID: 132872
Molecular Formular: C11H14ClN3O5
Molecular Mass: 303.69896
Monoisotopic Mass: 303.06219824
SMILES and InChIs

SMILES:
c1cc(ccc1NC(=O)CCC(C(=O)O)N)[N+](=O)[O-].Cl
Canonical SMILES:
O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(C(=O)O)N.Cl
InChI:
InChI=1S/C11H13N3O5.ClH/c12-9(11(16)17)5-6-10(15)13-7-1-3-8(4-2-7)14(18)19;/h1-4,9H,5-6,12H2,(H,13,15)(H,16,17);1H
InChIKey:
OJEVFSFTVARWQX-UHFFFAOYSA-N

Cite this record

CBID:132872 http://www.chembase.cn/molecule-132872.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-4-[(4-nitrophenyl)carbamoyl]butanoic acid hydrochloride
IUPAC Traditional name
2-amino-4-[(4-nitrophenyl)carbamoyl]butanoic acid hydrochloride
Synonyms
L-γ-Glutamyl-p-nitroanilide
L-Glutamic acid γ-(p-nitroanilide) hydrochloride
CAS Number
67953-08-6
EC Number
267-944-5
MDL Number
MFCD00039054
PubChem SID
24895247
162227149
PubChem CID
16219428

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
G6133 external link Add to cart Please log in.
Data Source Data ID
PubChem 16219428 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.526357  H Acceptors
H Donor LogD (pH = 5.5) -1.820141 
LogD (pH = 7.4) -1.825038  Log P -1.8201804 
Molar Refractivity 66.8897 cm3 Polarizability 24.783045 Å3
Polar Surface Area 138.24 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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
Quality Level
PREMIUM expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - G6133 external link
Substrates
Substrate for γ-glutamyl transpeptidase

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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