L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide
Thuốc Gốc
Small Molecule
CTHH: C16H25N3O3
PTK: 307.388
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C16H25N3O3
Phân tử khối
307.388
Monoisotopic mass
307.189591681
InChI
InChI=1S/C16H25N3O3/c1-10(17)15(21)18-11(2)16(22)19-14(12(3)20)9-13-7-5-4-6-8-13/h4-8,10-12,14,20H,9,17H2,1-3H3,(H,18,21)(H,19,22)/t10-,11-,12+,14-/m0/s1
InChI Key
InChIKey=CPAOOGAUUDSJCS-FMSGJZPZSA-N
IUPAC Name
(2S)-2-[(2S)-2-aminopropanamido]-N-[(2S,3R)-3-hydroxy-1-phenylbutan-2-yl]propanamide
Traditional IUPAC Name
(2S)-2-[(2S)-2-aminopropanamido]-N-[(2S,3R)-3-hydroxy-1-phenylbutan-2-yl]propanamide
SMILES
[H][C@@](C)(N)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CC1=CC=CC=C1)[C@@]([H])(C)O
Độ hòa tan
1.34e+00 g/l
logP
0.1
logS
-2.4
pKa (strongest acidic)
12.78
pKa (Strongest Basic)
8.09
PSA
104.45 Å2
Refractivity
84.26 m3·mol-1
Polarizability
33.09 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
4
H Bond Donor Count
4
Physiological Charge
1
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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