1,1,1-TRIFLUORO-3-((N-ACETYL)-L-LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-ACETYL-L-LEUCYL-L-PHENYLALANYL T
Thuốc Gốc
Small Molecule
CTHH: C18H23F3N2O3
PTK: 372.382
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
372.382
Monoisotopic mass
372.166077227
InChI
InChI=1S/C18H23F3N2O3/c1-11(2)9-15(22-12(3)24)17(26)23-14(16(25)18(19,20)21)10-13-7-5-4-6-8-13/h4-8,11,14-15H,9-10H2,1-3H3,(H,22,24)(H,23,26)/t14-,15-/m0/s1
InChI Key
InChIKey=MZNXJCZDQRNGRC-GJZGRUSLSA-N
IUPAC Name
(2S)-2-acetamido-4-methyl-N-[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]pentanamide
Traditional IUPAC Name
(2S)-2-acetamido-4-methyl-N-[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]pentanamide
SMILES
[H][C@@](CC(C)C)(NC(C)=O)C(=O)N[C@@]([H])(CC1=CC=CC=C1)C(=O)C(F)(F)F
Độ hòa tan
3.46e-03 g/l
logP
3.08
logS
-5
pKa (strongest acidic)
11
pKa (Strongest Basic)
-1.1
PSA
75.27 Å2
Refractivity
90.09 m3·mol-1
Polarizability
34.96 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
3
H Bond Donor Count
2
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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