N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-
Thuốc Gốc
Small Molecule
CTHH: C16H28N2O8
PTK: 376.4021
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C16H28N2O8
Phân tử khối
376.4021
Monoisotopic mass
376.184565882
InChI
InChI=1S/C16H28N2O8/c1-5-8(3)12(15(23)24)18-14(22)13(9(4)19)17-11(21)7-10(20)16(25)26-6-2/h8-10,12-13,19-20H,5-7H2,1-4H3,(H,17,21)(H,18,22)(H,23,24)/t8-,9+,10-,12-,13-/m0/s1
InChI Key
InChIKey=TUAMLRIDHTYTCM-WKLONVCASA-N
IUPAC Name
(2S,3S)-2-[(2S,3R)-2-[(3S)-4-ethoxy-3-hydroxy-4-oxobutanamido]-3-hydroxybutanamido]-3-methylpentanoic acid
Traditional IUPAC Name
(2S,3S)-2-[(2S,3R)-2-[(3S)-4-ethoxy-3-hydroxy-4-oxobutanamido]-3-hydroxybutanamido]-3-methylpentanoic acid
SMILES
CCOC(=O)[C@@H](O)CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(O)=O
Độ hòa tan
1.17e+01 g/l
logP
-0.98
logS
-1.5
pKa (strongest acidic)
3.81
pKa (Strongest Basic)
-2.7
PSA
162.26 Å2
Refractivity
88.55 m3·mol-1
Polarizability
37.85 Å3
Rotatable Bond Count
12
H Bond Acceptor Count
7
H Bond Donor Count
5
Physiological Charge
-1
Number of Rings
0
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading