N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE
Thuốc Gốc
Small Molecule
CTHH: C15H24N2O7
PTK: 344.3603
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C15H24N2O7
Phân tử khối
344.3603
Monoisotopic mass
344.158351132
InChI
InChI=1S/C15H24N2O7/c1-5-7(3)9(12(18)16-8(4)14(20)21)17-13(19)10-11(24-10)15(22)23-6-2/h7-11H,5-6H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t7-,8-,9-,10-,11-/m0/s1
InChI Key
InChIKey=FCCIQOJEDMDETP-QHZLYTNSSA-N
IUPAC Name
(2S)-2-[(2S,3S)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]formamido}-3-methylpentanamido]propanoic acid
Traditional IUPAC Name
(2S)-2-[(2S,3S)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]formamido}-3-methylpentanamido]propanoic acid
SMILES
[H][C@@](C)(NC(=O)[C@@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)OCC)[C@@]([H])(C)CC)C(O)=O
Độ hòa tan
5.49e+00 g/l
logP
0.095
logS
-1.8
pKa (strongest acidic)
3.8
pKa (Strongest Basic)
-3.6
PSA
134.33 Å2
Refractivity
80.41 m3·mol-1
Polarizability
34.47 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
6
H Bond Donor Count
3
Physiological Charge
-1
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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