Tìm theo
Oxidized Glutathione Disulfide
Thuốc Gốc
Small Molecule
CTHH: C20H32N6O12S2
PTK: 612.631
A GLUTATHIONE dimer formed by a disulfide bond between the cysteine sulfhydryl side chains during the course of being oxidized. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C20H32N6O12S2
Phân tử khối
612.631
Monoisotopic mass
612.151961898
InChI
InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m1/s1
InChI Key
InChIKey=YPZRWBKMTBYPTK-DDHJBXDOSA-N
IUPAC Name
(2R)-2-amino-4-{[(1S)-2-{[(2S)-2-[(4R)-4-amino-4-carboxybutanamido]-2-[(carboxymethyl)carbamoyl]ethyl]disulfanyl}-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}butanoic acid
Traditional IUPAC Name
(2R)-2-amino-4-{[(1S)-2-{[(2S)-2-[(4R)-4-amino-4-carboxybutanamido]-2-(carboxymethylcarbamoyl)ethyl]disulfanyl}-1-(carboxymethylcarbamoyl)ethyl]carbamoyl}butanoic acid
SMILES
N[C@H](CCC(=O)N[C@H](CSSC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O
Độ hòa tan
4.06e-01 g/l
logP
-10
logS
-3.2
pKa (strongest acidic)
1.44
pKa (Strongest Basic)
9.61
PSA
317.64 Å2
Refractivity
136.65 m3·mol-1
Polarizability
57.54 Å3
Rotatable Bond Count
21
H Bond Acceptor Count
14
H Bond Donor Count
10
Physiological Charge
-2
Number of Rings
0
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03310
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11767258
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508372
... loading
... loading