D-phenylalanyl-N-benzyl-L-prolinamide
Thuốc Gốc
Small Molecule
CTHH: C21H25N3O2
PTK: 351.4421
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
351.4421
Monoisotopic mass
351.194677059
InChI
InChI=1S/C21H25N3O2/c22-18(14-16-8-3-1-4-9-16)21(26)24-13-7-12-19(24)20(25)23-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15,22H2,(H,23,25)/t18-,19+/m1/s1
InChI Key
InChIKey=MEPJWLFTTFHOQO-MOPGFXCFSA-N
IUPAC Name
(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-benzylpyrrolidine-2-carboxamide
Traditional IUPAC Name
(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-benzylpyrrolidine-2-carboxamide
SMILES
[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=CC=C1
Độ hòa tan
3.07e-02 g/l
logP
1.95
logS
-4.1
pKa (strongest acidic)
15.39
pKa (Strongest Basic)
7.7
PSA
75.43 Å2
Refractivity
101.43 m3·mol-1
Polarizability
37.08 Å3
Rotatable Bond Count
6
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
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