Tìm theo
N-(carboxycarbonyl)-D-phenylalanine
Thuốc Gốc
Small Molecule
CAS: 856680-67-6
CTHH: C11H11NO5
PTK: 237.2087
N-(carboxycarbonyl)-D-phenylalanine is a solid. This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. It targets the protein hypoxia-inducible factor 1-alpha inhibitor.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H11NO5
Phân tử khối
237.2087
Monoisotopic mass
237.063722467
InChI
InChI=1S/C11H11NO5/c13-9(11(16)17)12-8(10(14)15)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m1/s1
InChI Key
InChIKey=ULQWGBCNOHBNDB-MRVPVSSYSA-N
IUPAC Name
(2R)-2-(carboxyformamido)-3-phenylpropanoic acid
Traditional IUPAC Name
(2R)-2-(carboxyformamido)-3-phenylpropanoic acid
SMILES
[H][C@](CC1=CC=CC=C1)(NC(=O)C(O)=O)C(O)=O
Độ hòa tan
1.16e+00 g/l
logP
0.86
logS
-2.3
pKa (strongest acidic)
2.79
pKa (Strongest Basic)
-6.3
PSA
103.7 Å2
Refractivity
56.36 m3·mol-1
Polarizability
21.54 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
-2
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB08263
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5288998
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99444734
ChemSpider
http://www.chemspider.com/Chemical-Structure.4451055.html
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