(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-METHYLPROPYL](HYDROXY)P
Thuốc Gốc
Small Molecule
CTHH: C22H29N2O6P
PTK: 448.4492
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C22H29N2O6P
Phân tử khối
448.4492
Monoisotopic mass
448.176323182
InChI
InChI=1S/C22H29N2O6P/c1-15(2)20(24-22(27)30-13-16-7-4-3-5-8-16)31(28,29)14-19(21(25)26)18-10-6-9-17(11-18)12-23/h3-11,15,19-20H,12-14,23H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)/t19-,20+/m0/s1
InChI Key
InChIKey=SFUOOKBZBVUDBC-VQTJNVASSA-N
IUPAC Name
(2S)-2-[3-(aminomethyl)phenyl]-3-{[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-methylpropyl](hydroxy)phosphoryl}propanoic acid
Traditional IUPAC Name
(2S)-2-[3-(aminomethyl)phenyl]-3-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-methylpropyl(hydroxy)phosphoryl]propanoic acid
SMILES
[H][C@@](C[P@](O)(=O)[C@@]([H])(NC(=O)OCC1=CC=CC=C1)C(C)C)(C(O)=O)C1=CC(CN)=CC=C1
Độ hòa tan
2.27e-02 g/l
logP
1.29
logS
-4.3
pKa (strongest acidic)
1.53
pKa (Strongest Basic)
9.49
PSA
138.95 Å2
Refractivity
116.95 m3·mol-1
Polarizability
46.14 Å3
Rotatable Bond Count
11
H Bond Acceptor Count
6
H Bond Donor Count
4
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
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading