S-(P-Nitrobenzyl)Glutathione
Thuốc Gốc
Small Molecule
CTHH: C17H22N4O8S
PTK: 442.444
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C17H22N4O8S
Phân tử khối
442.444
Monoisotopic mass
442.11583439
InChI
InChI=1S/C17H22N4O8S/c18-12(17(26)27)5-6-14(22)20-13(16(25)19-7-15(23)24)9-30-8-10-1-3-11(4-2-10)21(28)29/h1-4,12-13H,5-9,18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/t12-,13+/m0/s1
InChI Key
InChIKey=OAWORKDPTSAMBZ-QWHCGFSZSA-N
IUPAC Name
(2S)-2-amino-4-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}ethyl]carbamoyl}butanoic acid
Traditional IUPAC Name
(2S)-2-amino-4-{[(1S)-1-(carboxymethylcarbamoyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}ethyl]carbamoyl}butanoic acid
SMILES
N[C@@H](CCC(=O)N[C@H](CSCC1=CC=C(C=C1)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O
Độ hòa tan
8.61e-02 g/l
logP
-3
logS
-3.7
pKa (strongest acidic)
1.81
pKa (Strongest Basic)
9.31
PSA
204.64 Å2
Refractivity
105.75 m3·mol-1
Polarizability
42.73 Å3
Rotatable Bond Count
13
H Bond Acceptor Count
9
H Bond Donor Count
5
Physiological Charge
-1
Number of Rings
1
Bioavailability
0
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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