Tìm theo
Methicillin Acyl-Serine
Thuốc Gốc
Small Molecule
CTHH: C20H25N3O9S
PTK: 483.492
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C20H25N3O9S
Phân tử khối
483.492
Monoisotopic mass
483.131150103
InChI
InChI=1S/C20H27N3O9S/c1-20(2)14(18(27)28)23-16(33-20)13(19(29)32-8-9(21)17(25)26)22-15(24)12-10(30-3)6-5-7-11(12)31-4/h5-7,9,13-14,16,23H,8,21H2,1-4H3,(H,22,24)(H,25,26)(H,27,28)/p-2/t9-,13-,14-,16-/m1/s1
InChI Key
InChIKey=GFYFFUGNPVBDAK-APGPQJPKSA-L
IUPAC Name
(2R,4R)-2-[(1S)-2-[(2R)-2-amino-2-carboxylatoethoxy]-1-[(2,6-dimethoxyphenyl)formamido]-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
Traditional IUPAC Name
methicillin acyl-serine
SMILES
COC1=CC=CC(OC)=C1C(=O)N[C@H]([C@@H]1N[C@H](C([O-])=O)C(C)(C)S1)C(=O)OC[C@@H](N)C([O-])=O
Độ hòa tan
9.49e-01 g/l
logP
-4.6
logS
-2.7
pKa (strongest acidic)
1.02
pKa (Strongest Basic)
8.6
PSA
192.17 Å2
Refractivity
136.7 m3·mol-1
Polarizability
46 Å3
Rotatable Bond Count
11
H Bond Acceptor Count
10
H Bond Donor Count
3
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tương Tác Thuốc :
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02443
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936385
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506281
ChemSpider
http://www.chemspider.com/Chemical-Structure.3676230.html
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