(S)-2-{Methyl-[2-(Naphthalene-2-Sulfonylamino)-5-(Naphthalene-2-Sulfonyloxy)-Benzoyl]-Amino}-Succini
Thuốc Gốc
Small Molecule
CTHH: C32H26N2O10S2
PTK: 662.686
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C32H26N2O10S2
Phân tử khối
662.686
Monoisotopic mass
662.102886442
InChI
InChI=1S/C32H26N2O10S2/c1-34(29(32(38)39)19-30(35)36)31(37)27-18-24(44-46(42,43)26-14-11-21-7-3-5-9-23(21)17-26)12-15-28(27)33-45(40,41)25-13-10-20-6-2-4-8-22(20)16-25/h2-18,29,33H,19H2,1H3,(H,35,36)(H,38,39)/t29-/m1/s1
InChI Key
InChIKey=JOAALZBSMWLOPQ-GDLZYMKVSA-N
IUPAC Name
(2R)-2-{N-methyl-1-[2-(naphthalene-2-sulfonamido)-5-[(naphthalene-2-sulfonyl)oxy]phenyl]formamido}butanedioic acid
Traditional IUPAC Name
(2R)-2-{N-methyl-1-[2-(naphthalene-2-sulfonamido)-5-[(naphthalene-2-sulfonyl)oxy]phenyl]formamido}butanedioic acid
SMILES
CN([C@H](CC(O)=O)C(O)=O)C(=O)C1=CC(OS(=O)(=O)C2=CC=C3C=CC=CC3=C2)=CC=C1NS(=O)(=O)C1=CC=C2C=CC=CC2=C1
Độ hòa tan
4.44e-04 g/l
logP
4.36
logS
-6.2
pKa (strongest acidic)
2.38
pKa (Strongest Basic)
-1.5
PSA
184.45 Å2
Refractivity
166.16 m3·mol-1
Polarizability
66.65 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
9
H Bond Donor Count
3
Physiological Charge
-2
Number of Rings
5
Bioavailability
1
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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