N-(3-Phenyl-2-Sulfanylpropanoyl)Phenylalanylalanine
Thuốc Gốc
Small Molecule
CTHH: C21H24N2O4S
PTK: 400.491
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
400.491
Monoisotopic mass
400.145677956
InChI
InChI=1S/C21H24N2O4S/c1-14(21(26)27)22-19(24)17(12-15-8-4-2-5-9-15)23-20(25)18(28)13-16-10-6-3-7-11-16/h2-11,14,17-18,28H,12-13H2,1H3,(H,22,24)(H,23,25)(H,26,27)/t14-,17-,18+/m0/s1
InChI Key
InChIKey=CNILVMARPONFBX-JCGIZDLHSA-N
IUPAC Name
(2S)-2-[(2S)-3-phenyl-2-[(2R)-3-phenyl-2-sulfanylpropanamido]propanamido]propanoic acid
Traditional IUPAC Name
(2S)-2-[(2S)-3-phenyl-2-[(2R)-3-phenyl-2-sulfanylpropanamido]propanamido]propanoic acid
SMILES
[H][C@@](C)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(=O)[C@]([H])(S)CC1=CC=CC=C1)C(O)=O
Độ hòa tan
7.12e-03 g/l
logP
2.81
logS
-4.8
pKa (strongest acidic)
3.85
pKa (Strongest Basic)
-3.9
PSA
95.5 Å2
Refractivity
108.8 m3·mol-1
Polarizability
41.48 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
4
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