beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide
Thuốc Gốc
Small Molecule
CTHH: C23H29N3O2
PTK: 379.4953
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
379.4953
Monoisotopic mass
379.225977187
InChI
InChI=1S/C23H29N3O2/c1-2-15-25-22(27)19-14-9-16-26(19)23(28)21(24)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-21H,2,9,14-16,24H2,1H3,(H,25,27)/t19-,21+/m0/s1
InChI Key
InChIKey=HZKKJPDVZGOOPU-PZJWPPBQSA-N
IUPAC Name
(2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-propylpyrrolidine-2-carboxamide
Traditional IUPAC Name
(2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-propylpyrrolidine-2-carboxamide
SMILES
[H][C@@](N)(C(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCCC
Độ hòa tan
1.27e-02 g/l
logP
2.61
logS
-4.5
pKa (strongest acidic)
15.59
pKa (Strongest Basic)
7.66
PSA
75.43 Å2
Refractivity
110.66 m3·mol-1
Polarizability
42.21 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading