Tìm theo
S-METHYL-GLUTATHIONE
Thuốc Gốc
Small Molecule
CTHH: C11H19N3O6S
PTK: 321.35
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H19N3O6S
Phân tử khối
321.35
Monoisotopic mass
321.099456045
InChI
InChI=1S/C11H19N3O6S/c1-21-5-7(10(18)13-4-9(16)17)14-8(15)3-2-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1
InChI Key
InChIKey=QTQDDTSVRVWHMO-BQBZGAKWSA-N
IUPAC Name
(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-(methylsulfanyl)ethyl]carbamoyl}butanoic acid
Traditional IUPAC Name
(2S)-2-amino-4-{[(1R)-1-(carboxymethylcarbamoyl)-2-(methylsulfanyl)ethyl]carbamoyl}butanoic acid
SMILES
CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
Độ hòa tan
2.61e+00 g/l
logP
-4.5
logS
-2.1
pKa (strongest acidic)
1.82
pKa (Strongest Basic)
9.31
PSA
158.82 Å2
Refractivity
73.77 m3·mol-1
Polarizability
31.25 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
7
H Bond Donor Count
5
Physiological Charge
-1
Number of Rings
0
Bioavailability
1
Rule of Five
true
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