(S)-2-(Phosphonoxy)Caproyl-L-Leucyl-P-Nitroanilide
Thuốc Gốc
Small Molecule
CTHH: C18H28N3O8P
PTK: 445.404
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
445.404
Monoisotopic mass
445.161401399
InChI
InChI=1S/C18H28N3O8P/c1-4-5-6-16(29-30(26,27)28)18(23)20-15(11-12(2)3)17(22)19-13-7-9-14(10-8-13)21(24)25/h7-10,12,15-16H,4-6,11H2,1-3H3,(H,19,22)(H,20,23)(H2,26,27,28)/t15-,16-/m0/s1
InChI Key
InChIKey=HARXAJAHMRMERT-HOTGVXAUSA-N
IUPAC Name
{[(1S)-1-{[(1S)-3-methyl-1-[(4-nitrophenyl)carbamoyl]butyl]carbamoyl}pentyl]oxy}phosphonic acid
Traditional IUPAC Name
[(1S)-1-{[(1S)-3-methyl-1-[(4-nitrophenyl)carbamoyl]butyl]carbamoyl}pentyl]oxyphosphonic acid
SMILES
[H][C@@](CC(C)C)(NC(=O)[C@]([H])(CCCC)OP(O)(O)=O)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O
Độ hòa tan
1.81e-02 g/l
logP
2.91
logS
-4.4
pKa (strongest acidic)
1.42
pKa (Strongest Basic)
-5.4
PSA
170.78 Å2
Refractivity
110.01 m3·mol-1
Polarizability
43.3 Å3
Rotatable Bond Count
12
H Bond Acceptor Count
7
H Bond Donor Count
4
Physiological Charge
-2
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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