METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE
Thuốc Gốc
Small Molecule
CTHH: C22H34N4O2
PTK: 386.531
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C22H34N4O2
Phân tử khối
386.531
Monoisotopic mass
386.268176352
InChI
InChI=1S/C22H34N4O2/c1-24-19(14-16-6-3-2-4-7-16)22(28)26-13-5-8-20(26)21(27)25-15-17-9-11-18(23)12-10-17/h2-4,6-7,17-20,24H,5,8-15,23H2,1H3,(H,25,27)/t17-,18+,19-,20+/m1/s1
InChI Key
InChIKey=MDSVGJAUFNXYRR-WCIQWLHISA-N
IUPAC Name
(2S)-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]-N-{[(1s,4s)-4-aminocyclohexyl]methyl}pyrrolidine-2-carboxamide
Traditional IUPAC Name
(2S)-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]-N-{[(1s,4s)-4-aminocyclohexyl]methyl}pyrrolidine-2-carboxamide
SMILES
[H][C@](CC1=CC=CC=C1)(NC)C(=O)N1CCC[C@@]1([H])C(=O)NC[C@]1([H])CC[C@]([H])(N)CC1
Độ hòa tan
3.07e-02 g/l
logP
1.28
logS
-4.1
pKa (strongest acidic)
15.7
pKa (Strongest Basic)
10.46
PSA
87.46 Å2
Refractivity
110.67 m3·mol-1
Polarizability
43.87 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
4
H Bond Donor Count
3
Physiological Charge
2
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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