Tìm theo
D-Naphthyl-1-Acetamido Boronic Acid Alanine
Thuốc Gốc
Small Molecule
CTHH: C17H22BN2O6
PTK: 361.177
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
361.177
Monoisotopic mass
361.157091912
InChI
InChI=1S/C17H22BN2O6/c1-11(21)20-16(18(24,25)26-10-15(19)17(22)23)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,15-16,24-25H,9-10,19H2,1H3,(H,20,21)(H,22,23)/q-1/t15-,16+/m0/s1
InChI Key
InChIKey=KJSNEFAXFLDDDR-JKSUJKDBSA-N
IUPAC Name
[(2S)-2-amino-2-carboxyethoxy][(1S)-1-acetamido-2-(naphthalen-1-yl)ethyl]dihydroxyboranuide
Traditional IUPAC Name
[(2S)-2-amino-2-carboxyethoxy][(1S)-1-acetamido-2-(naphthalen-1-yl)ethyl]dihydroxyboranuide
SMILES
CC(=O)N[C@H](CC1=CC=CC2=C1C=CC=C2)[B-](O)(O)OC[C@H](N)C(O)=O
Độ hòa tan
3.74e-02 g/l
logP
-2.9
logS
-4
pKa (strongest acidic)
1.89
pKa (Strongest Basic)
8.34
PSA
142.11 Å2
Refractivity
89.69 m3·mol-1
Polarizability
37.07 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
7
H Bond Donor Count
5
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
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