(2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(METHYLCARBAMOYL)PROPYL]-N^4^-HYDROXY-2-(2-METHYLPROPYL)-3-{[(1,3-
Thuốc Gốc
Small Molecule
CTHH: C20H33N5O5S
PTK: 455.572
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C20H33N5O5S
Phân tử khối
455.572
Monoisotopic mass
455.220239881
InChI
InChI=1S/C20H33N5O5S/c1-11(2)9-12(15(26)24-14(17(28)21-6)20(3,4)5)13(16(27)25-30)10-23-18(29)19-22-7-8-31-19/h7-8,11-14,30H,9-10H2,1-6H3,(H,21,28)(H,23,29)(H,24,26)(H,25,27)/t12-,13+,14-/m1/s1
InChI Key
InChIKey=GAHIXYNNFMCKFQ-HZSPNIEDSA-N
IUPAC Name
(2R,3R)-N-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N'-hydroxy-2-(2-methylpropyl)-3-[(1,3-thiazol-2-ylformamido)methyl]butanediamide
Traditional IUPAC Name
(2R,3R)-N-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N'-hydroxy-2-(2-methylpropyl)-3-[(1,3-thiazol-2-ylformamido)methyl]butanediamide
SMILES
[H][C@@](CNC(=O)C1=NC=CS1)(C(=O)NO)[C@@]([H])(CC(C)C)C(=O)N[C@]([H])(C(=O)NC)C(C)(C)C
Độ hòa tan
2.01e-02 g/l
logP
0.52
logS
-4.4
pKa (strongest acidic)
8.85
pKa (Strongest Basic)
0.38
PSA
149.52 Å2
Refractivity
115.67 m3·mol-1
Polarizability
47.95 Å3
Rotatable Bond Count
11
H Bond Acceptor Count
6
H Bond Donor Count
5
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading