2-{1-[2-(2-Amino-Thiazol-4-Yl)-2-Methoxyimino-Acetylamino]-2-Oxo-Ethyl}-5,5-Dimethyl-Thiazolidine-4-
Thuốc Gốc
Small Molecule
CTHH: C14H19N5O5S2
PTK: 401.461
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C14H19N5O5S2
Phân tử khối
401.461
Monoisotopic mass
401.082760123
InChI
InChI=1S/C14H19N5O5S2/c1-14(2)9(12(22)23)18-11(26-14)6(4-20)16-10(21)8(19-24-3)7-5-25-13(15)17-7/h4-6,9,11,18H,1-3H3,(H2,15,17)(H,16,21)(H,22,23)/b19-8+/t6-,9-,11-/m1/s1
InChI Key
InChIKey=YVNKGXXVZIQNIV-YWDVHJRKSA-N
IUPAC Name
(2R,4R)-2-[(1R)-1-[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Traditional IUPAC Name
(2R,4R)-2-[(1R)-1-[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILES
CO\N=C(\C(=O)N[C@H](C=O)[C@@H]1N[C@H](C(O)=O)C(C)(C)S1)C1=CSC(N)=N1
Độ hòa tan
1.38e-01 g/l
logP
-2.2
logS
-3.5
pKa (strongest acidic)
1.02
pKa (Strongest Basic)
7.74
PSA
156 Å2
Refractivity
94.88 m3·mol-1
Polarizability
38.63 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
9
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
2
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