1-[2-(3-Biphenyl)-4-Methylvaleryl)]Amino-3-(2-Pyridylsulfonyl)Amino-2-Propanone
Thuốc Gốc
Small Molecule
CTHH: C26H31N3O4S
PTK: 481.607
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C26H31N3O4S
Phân tử khối
481.607
Monoisotopic mass
481.203527185
InChI
InChI=1S/C26H31N3O4S/c1-19(2)15-24(22-12-8-11-21(16-22)20-9-4-3-5-10-20)26(31)28-17-23(30)18-29-34(32,33)25-13-6-7-14-27-25/h3-14,16,19,23-24,29-30H,15,17-18H2,1-2H3,(H,28,31)/t23-,24+/m0/s1
InChI Key
InChIKey=YCDHZDINQZLSRR-BJKOFHAPSA-N
IUPAC Name
(2R)-N-[(2S)-2-hydroxy-3-(pyridine-2-sulfonamido)propyl]-4-methyl-2-(3-phenylphenyl)pentanamide
Traditional IUPAC Name
(2R)-N-[(2S)-2-hydroxy-3-(pyridine-2-sulfonamido)propyl]-4-methyl-2-(3-phenylphenyl)pentanamide
SMILES
CC(C)C[C@@H](C(=O)NC[C@H](O)CNS(=O)(=O)C1=CC=CC=N1)C1=CC=CC(=C1)C1=CC=CC=C1
Độ hòa tan
2.52e-03 g/l
logP
3.77
logS
-5.3
pKa (strongest acidic)
8.86
pKa (Strongest Basic)
-0.83
PSA
108.39 Å2
Refractivity
132.81 m3·mol-1
Polarizability
52.21 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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