[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER
Thuốc Gốc
Small Molecule
CTHH: C19H35N3O6
PTK: 401.4977
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
401.4977
Monoisotopic mass
401.252585867
InChI
InChI=1S/C19H35N3O6/c1-7-28-19(26)13(6)20-18(25)15(9-12(4)5)21-17(24)14(8-11(2)3)10-16(23)22-27/h11-15,27H,7-10H2,1-6H3,(H,20,25)(H,21,24)(H,22,23)/t13-,14+,15-/m0/s1
InChI Key
InChIKey=XKRONJXEXGFBRZ-ZNMIVQPWSA-N
IUPAC Name
ethyl (2S)-2-[(2S)-2-[(2R)-3-(hydroxycarbamoyl)-2-(2-methylpropyl)propanamido]-4-methylpentanamido]propanoate
Traditional IUPAC Name
ethyl (2S)-2-[(2S)-2-[(2R)-3-(hydroxycarbamoyl)-2-(2-methylpropyl)propanamido]-4-methylpentanamido]propanoate
SMILES
[H][C@@](C)(NC(=O)[C@]([H])(CC(C)C)NC(=O)[C@]([H])(CC(C)C)CC(=O)NO)C(=O)OCC
Độ hòa tan
3.02e-01 g/l
logP
1.19
logS
-3.1
pKa (strongest acidic)
8.9
pKa (Strongest Basic)
-0.4
PSA
133.83 Å2
Refractivity
103.24 m3·mol-1
Polarizability
43.31 Å3
Rotatable Bond Count
13
H Bond Acceptor Count
5
H Bond Donor Count
4
Physiological Charge
0
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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