methyl 4-bromo-N-[8-(hydroxyamino)-8-oxooctanoyl]-L-phenylalaninate
Thuốc Gốc
Small Molecule
CTHH: C18H25BrN2O5
PTK: 429.306
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
429.306
Monoisotopic mass
428.094684567
InChI
InChI=1S/C18H25BrN2O5/c1-26-18(24)15(12-13-8-10-14(19)11-9-13)20-16(22)6-4-2-3-5-7-17(23)21-25/h8-11,15,25H,2-7,12H2,1H3,(H,20,22)(H,21,23)/t15-/m0/s1
InChI Key
InChIKey=UPYGSQPRAHMDPD-HNNXBMFYSA-N
IUPAC Name
methyl (2S)-3-(4-bromophenyl)-2-[7-(hydroxycarbamoyl)heptanamido]propanoate
Traditional IUPAC Name
methyl (2S)-3-(4-bromophenyl)-2-[7-(hydroxycarbamoyl)heptanamido]propanoate
SMILES
[H][C@@](CC1=CC=C(Br)C=C1)(NC(=O)CCCCCCC(=O)NO)C(=O)OC
Độ hòa tan
7.78e-03 g/l
logP
2.6
logS
-4.7
pKa (strongest acidic)
8.91
pKa (Strongest Basic)
-0.78
PSA
104.73 Å2
Refractivity
99.84 m3·mol-1
Polarizability
40.87 Å3
Rotatable Bond Count
12
H Bond Acceptor Count
4
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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