N'-((2S,3R)-3-AMINO-2-HYDROXY-5-(ISOPROPYLSULFANYL)PENTANOYL)-N-3-CHLOROBENZOYL HYDRAZIDE
Thuốc Gốc
Small Molecule
CTHH: C15H22ClN3O3S
PTK: 359.871
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
359.871
Monoisotopic mass
359.107039982
InChI
InChI=1S/C15H22ClN3O3S/c1-9(2)23-7-6-12(17)13(20)15(22)19-18-14(21)10-4-3-5-11(16)8-10/h3-5,8-9,12-13,20H,6-7,17H2,1-2H3,(H,18,21)(H,19,22)/t12-,13+/m1/s1
InChI Key
InChIKey=BYBVYIPUGPZRSX-OLZOCXBDSA-N
IUPAC Name
N'-[(2S,3R)-3-amino-2-hydroxy-5-(propan-2-ylsulfanyl)pentanoyl]-3-chlorobenzohydrazide
Traditional IUPAC Name
N'-[(2S,3R)-3-amino-2-hydroxy-5-(isopropylsulfanyl)pentanoyl]-3-chlorobenzohydrazide
SMILES
[H][C@@](N)(CCSC(C)C)[C@]([H])(O)C(=O)NNC(=O)C1=CC(Cl)=CC=C1
Độ hòa tan
4.55e-02 g/l
logP
0.82
logS
-3.9
pKa (strongest acidic)
9.49
pKa (Strongest Basic)
8.37
PSA
104.45 Å2
Refractivity
92.98 m3·mol-1
Polarizability
37.09 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
4
H Bond Donor Count
4
Physiological Charge
1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading