(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-dimethy
Thuốc Gốc
Small Molecule
CTHH: C16H30N2O5S
PTK: 362.485
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C16H30N2O5S
Phân tử khối
362.485
Monoisotopic mass
362.18754277
InChI
InChI=1S/C16H30N2O5S/c1-15(2,3)14(22)23-10-16(4,5)12(20)13(21)18-7-6-11(19)17-8-9-24/h12,20,24H,6-10H2,1-5H3,(H,17,19)(H,18,21)/t12-/m0/s1
InChI Key
InChIKey=KVQSHCZSRKQWCB-LBPRGKRZSA-N
IUPAC Name
(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propyl 2,2-dimethylpropanoate
Traditional IUPAC Name
(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propyl 2,2-dimethylpropanoate
SMILES
[H][C@](O)(C(=O)NCCC(=O)NCCS)C(C)(C)COC(=O)C(C)(C)C
Độ hòa tan
7.54e-02 g/l
logP
0.71
logS
-3.7
pKa (strongest acidic)
10.07
pKa (Strongest Basic)
-1.5
PSA
104.73 Å2
Refractivity
93.56 m3·mol-1
Polarizability
39.78 Å3
Rotatable Bond Count
11
H Bond Acceptor Count
4
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
0
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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