N-[1-Hydroxycarboxyethyl-Carbonyl]Leucylamino-2-Methyl-Butane
Thuốc Gốc
Small Molecule
CTHH: C15H28N2O5
PTK: 316.3932
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
316.3932
Monoisotopic mass
316.199822016
InChI
InChI=1S/C15H28N2O5/c1-9(2)5-6-16-14(21)11(7-10(3)4)17-15(22)12(18)8-13(19)20/h9-12,18H,5-8H2,1-4H3,(H,16,21)(H,17,22)(H,19,20)/t11-,12-/m0/s1
InChI Key
InChIKey=KBIWEWPGBHKYML-RYUDHWBXSA-N
IUPAC Name
(3S)-3-hydroxy-3-{[(1S)-3-methyl-1-[(3-methylbutyl)carbamoyl]butyl]carbamoyl}propanoic acid
Traditional IUPAC Name
(3S)-3-hydroxy-3-{[(1S)-3-methyl-1-[(3-methylbutyl)carbamoyl]butyl]carbamoyl}propanoic acid
SMILES
[H][C@](O)(CC(O)=O)C(=O)N[C@@]([H])(CC(C)C)C(=O)NCCC(C)C
Độ hòa tan
2.42e+00 g/l
logP
0.63
logS
-2.1
pKa (strongest acidic)
4.25
pKa (Strongest Basic)
-2.8
PSA
115.73 Å2
Refractivity
80.99 m3·mol-1
Polarizability
34.67 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
5
H Bond Donor Count
4
Physiological Charge
-1
Number of Rings
0
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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