O-(((1R)-((N-(PHENYL-METHOXY-CARBONYL)-ALANYL)-AMINO)METHYL)HYDROXYPHOSPHINYL)3-L-PHENYLLACTATE
Thuốc Gốc
Small Molecule
CTHH: C21H25N2O8P
PTK: 464.4056
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
464.4056
Monoisotopic mass
464.134852298
InChI
InChI=1S/C21H25N2O8P/c1-15(23-21(27)30-13-17-10-6-3-7-11-17)19(24)22-14-32(28,29)31-18(20(25)26)12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3,(H,22,24)(H,23,27)(H,25,26)(H,28,29)/t15-,18-/m0/s1
InChI Key
InChIKey=ICACWKLCNCPHAM-YJBOKZPZSA-N
IUPAC Name
(2S)-2-[({[(2S)-2-{[(benzyloxy)carbonyl]amino}propanamido]methyl}(hydroxy)phosphoryl)oxy]-3-phenylpropanoic acid
Traditional IUPAC Name
(2S)-2-({[(2S)-2-{[(benzyloxy)carbonyl]amino}propanamido]methyl(hydroxy)phosphoryl}oxy)-3-phenylpropanoic acid
SMILES
[H][C@@](C)(NC(=O)OCC1=CC=CC=C1)C(=O)NC[P@](O)(=O)O[C@@]([H])(CC1=CC=CC=C1)C(O)=O
Độ hòa tan
2.13e-02 g/l
logP
2.22
logS
-4.3
pKa (strongest acidic)
0.9
pKa (Strongest Basic)
-5.1
PSA
151.26 Å2
Refractivity
113.15 m3·mol-1
Polarizability
44.96 Å3
Rotatable Bond Count
12
H Bond Acceptor Count
6
H Bond Donor Count
4
Physiological Charge
-2
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading