Tìm theo
S-Benzyl-Glutathione
Thuốc Gốc
Small Molecule
CTHH: C17H23N3O6S
PTK: 397.446
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C17H23N3O6S
Phân tử khối
397.446
Monoisotopic mass
397.130756173
InChI
InChI=1S/C17H23N3O6S/c18-12(17(25)26)6-7-14(21)20-13(16(24)19-8-15(22)23)10-27-9-11-4-2-1-3-5-11/h1-5,12-13H,6-10,18H2,(H,19,24)(H,20,21)(H,22,23)(H,25,26)/t12-,13+/m0/s1
InChI Key
InChIKey=XYJWEQWNNKNSFU-QWHCGFSZSA-N
IUPAC Name
(2S)-2-amino-4-{[(1S)-2-(benzylsulfanyl)-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}butanoic acid
Traditional IUPAC Name
(2S)-2-amino-4-{[(1S)-2-(benzylsulfanyl)-1-(carboxymethylcarbamoyl)ethyl]carbamoyl}butanoic acid
SMILES
N[[email protected]@H](CCC(=O)N[[email protected]](CSCC1=CC=CC=C1)C(=O)NCC(O)=O)C(O)=O
Độ hòa tan
1.16e-01 g/l
logP
-2.9
logS
-3.5
pKa (strongest acidic)
1.81
pKa (Strongest Basic)
9.31
PSA
158.82 Å2
Refractivity
98.43 m3·mol-1
Polarizability
40.21 Å3
Rotatable Bond Count
12
H Bond Acceptor Count
7
H Bond Donor Count
5
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Rule of Five
true
... loading
... loading