Tìm theo
S-Hydroxymethyl Glutathione
Thuốc Gốc
Small Molecule
CTHH: C11H19N3O7S
PTK: 337.349
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H19N3O7S
Phân tử khối
337.349
Monoisotopic mass
337.094370667
InChI
InChI=1S/C11H19N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h6-7,15H,1-5,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/t6-,7+/m0/s1
InChI Key
InChIKey=PIUSLWSYOYFRFR-NKWVEPMBSA-N
IUPAC Name
(2S)-2-amino-4-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-[(hydroxymethyl)sulfanyl]ethyl]carbamoyl}butanoic acid
Traditional IUPAC Name
(2S)-2-amino-4-{[(1S)-1-(carboxymethylcarbamoyl)-2-[(hydroxymethyl)sulfanyl]ethyl]carbamoyl}butanoic acid
SMILES
N[C@@H](CCC(=O)N[C@H](CSCO)C(=O)NCC(O)=O)C(O)=O
Độ hòa tan
5.27e+00 g/l
logP
-5.5
logS
-1.8
pKa (strongest acidic)
1.79
pKa (Strongest Basic)
9.31
PSA
179.05 Å2
Refractivity
75.2 m3·mol-1
Polarizability
32.27 Å3
Rotatable Bond Count
11
H Bond Acceptor Count
8
H Bond Donor Count
6
Physiological Charge
-1
Number of Rings
0
Bioavailability
0
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