2-Oxy-4-Hydroxy-5-(2-Hydrazinopyridine)Phenylalanine
Thuốc Gốc
Small Molecule
CTHH: C14H16N4O4
PTK: 304.3012
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
304.3012
Monoisotopic mass
304.11715502
InChI
InChI=1S/C14H16N4O4/c15-9(14(21)22)5-8-6-10(12(20)7-11(8)19)17-18-13-3-1-2-4-16-13/h1-4,6-9,17,20H,5,15H2,(H,16,18)(H,21,22)/t8-,9-/m0/s1
InChI Key
InChIKey=AZUQIXJQZOMXAS-IUCAKERBSA-N
IUPAC Name
(2S)-2-amino-3-[(1S)-4-hydroxy-6-oxo-3-[2-(pyridin-2-yl)hydrazin-1-yl]cyclohexa-2,4-dien-1-yl]propanoic acid
Traditional IUPAC Name
(2S)-2-amino-3-[(1S)-4-hydroxy-6-oxo-3-[2-(pyridin-2-yl)hydrazin-1-yl]cyclohexa-2,4-dien-1-yl]propanoic acid
SMILES
N[C@@H](C[C@H]1C=C(NNC2=CC=CC=N2)C(O)=CC1=O)C(O)=O
Độ hòa tan
1.12e+00 g/l
logP
-5
logS
-2.4
pKa (strongest acidic)
1.63
pKa (Strongest Basic)
9.65
PSA
137.57 Å2
Refractivity
92.82 m3·mol-1
Polarizability
29.86 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
8
H Bond Donor Count
5
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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