(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-CHLOROETHYLKETONE
Thuốc Gốc
Small Molecule
CTHH: C16H21ClN2O3
PTK: 324.803
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C16H21ClN2O3
Phân tử khối
324.803
Monoisotopic mass
324.124070255
InChI
InChI=1S/C16H21ClN2O3/c1-11(18-12(2)20)16(22)19-14(15(21)8-9-17)10-13-6-4-3-5-7-13/h3-7,11,14H,8-10H2,1-2H3,(H,18,20)(H,19,22)/t11-,14-/m0/s1
InChI Key
InChIKey=WABWAIGLGFELMI-FZMZJTMJSA-N
IUPAC Name
(2S)-N-[(2S)-5-chloro-3-oxo-1-phenylpentan-2-yl]-2-acetamidopropanamide
Traditional IUPAC Name
(2S)-N-[(2S)-5-chloro-3-oxo-1-phenylpentan-2-yl]-2-acetamidopropanamide
SMILES
[H][C@@](C)(NC(C)=O)C(=O)N[C@@]([H])(CC1=CC=CC=C1)C(=O)CCCl
Độ hòa tan
3.74e-02 g/l
logP
1.46
logS
-3.9
pKa (strongest acidic)
12
pKa (Strongest Basic)
-1.4
PSA
75.27 Å2
Refractivity
84.86 m3·mol-1
Polarizability
33.75 Å3
Rotatable Bond Count
8
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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