(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid
Thuốc Gốc
Small Molecule
CTHH: C19H24NO4P
PTK: 361.3719
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
361.3719
Monoisotopic mass
361.144294773
InChI
InChI=1S/C19H24NO4P/c20-18(12-11-15-7-3-1-4-8-15)25(23,24)14-17(19(21)22)13-16-9-5-2-6-10-16/h1-10,17-18H,11-14,20H2,(H,21,22)(H,23,24)/t17-,18+/m1/s1
InChI Key
InChIKey=QELOIXSGJMIHBZ-MSOLQXFVSA-N
IUPAC Name
(2S)-3-{[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl}-2-benzylpropanoic acid
Traditional IUPAC Name
(2S)-3-[(1S)-1-amino-3-phenylpropyl(hydroxy)phosphoryl]-2-benzylpropanoic acid
SMILES
[H][C@@](CC1=CC=CC=C1)(C[P@](O)(=O)[C@]([H])(N)CCC1=CC=CC=C1)C(O)=O
Độ hòa tan
7.09e-02 g/l
logP
1.5
logS
-3.7
pKa (strongest acidic)
-0.057
pKa (Strongest Basic)
9.92
PSA
100.62 Å2
Refractivity
97.68 m3·mol-1
Polarizability
37.12 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
5
H Bond Donor Count
3
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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