N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCINE
Thuốc Gốc
Small Molecule
CTHH: C12H19NO6
PTK: 273.2824
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C12H19NO6
Phân tử khối
273.2824
Monoisotopic mass
273.121237345
InChI
InChI=1S/C12H19NO6/c1-4-6(3)7(11(15)16)13-10(14)8-9(19-8)12(17)18-5-2/h6-9H,4-5H2,1-3H3,(H,13,14)(H,15,16)/t6-,7-,8-,9-/m0/s1
InChI Key
InChIKey=MZJYLQZZISBOTF-JBDRJPRFSA-N
IUPAC Name
(2S,3S)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]formamido}-3-methylpentanoic acid
Traditional IUPAC Name
(2S,3S)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]formamido}-3-methylpentanoic acid
SMILES
[H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)OCC)C(O)=O
Độ hòa tan
2.76e+01 g/l
logP
0.63
logS
-1
pKa (strongest acidic)
3.55
pKa (Strongest Basic)
-4.3
PSA
105.23 Å2
Refractivity
63.12 m3·mol-1
Polarizability
27.57 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
5
H Bond Donor Count
2
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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