Nalpha-(2-Naphthylsulfonylglycyl)-3-Amidino-D,L-Phenylalanine-Isopropylester
Thuốc Gốc
Small Molecule
CAS: 133397-81-6
CTHH: C20H24N4O5S
PTK: 432.493
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
432.493
Monoisotopic mass
432.146740588
InChI
InChI=1S/C20H24N4O5S/c1-13-6-8-16(9-7-13)30(27,28)23-12-18(25)24-17(20(26)29-2)11-14-4-3-5-15(10-14)19(21)22/h3-10,17,23H,11-12H2,1-2H3,(H3,21,22)(H,24,25)/t17-/m0/s1
InChI Key
InChIKey=YAEIKQDHLCFGAA-KRWDZBQOSA-N
IUPAC Name
methyl (2S)-3-(3-carbamimidoylphenyl)-2-{2-[(4-methylbenzene)sulfonamido]acetamido}propanoate
Traditional IUPAC Name
methyl (2S)-3-(3-carbamimidoylphenyl)-2-[2-(4-methylbenzenesulfonamido)acetamido]propanoate
SMILES
[H][C@@](CC1=CC=CC(=C1)C(N)=N)(NC(=O)CNS(=O)(=O)C1=CC=C(C)C=C1)C(=O)OC
Độ hòa tan
3.92e-02 g/l
logP
0.54
logS
-4
pKa (strongest acidic)
10.32
pKa (Strongest Basic)
11.31
PSA
151.44 Å2
Refractivity
122.6 m3·mol-1
Polarizability
44.45 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
6
H Bond Donor Count
4
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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