S-P-Nitrobenzyloxycarbonylglutathione
Thuốc Gốc
Small Molecule
CTHH: C18H24N4O10S
PTK: 488.469
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C18H24N4O10S
Phân tử khối
488.469
Monoisotopic mass
488.121313698
InChI
InChI=1S/C18H24N4O10S/c19-12(17(27)28)5-6-14(23)21-13(16(26)20-7-15(24)25)9-33-18(29)32-8-10-1-3-11(4-2-10)22(30)31/h1-4,12-13,18,29H,5-9,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t12-,13+,18+/m0/s1
InChI Key
InChIKey=QYFGPQQSJQOGEO-VEVIJQCQSA-N
IUPAC Name
(2S)-2-amino-4-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-{[(R)-hydroxy[(4-nitrophenyl)methoxy]methyl]sulfanyl}ethyl]carbamoyl}butanoic acid
Traditional IUPAC Name
(2S)-2-amino-4-{[(1S)-1-(carboxymethylcarbamoyl)-2-{[(R)-hydroxy[(4-nitrophenyl)methoxy]methyl]sulfanyl}ethyl]carbamoyl}butanoic acid
SMILES
N[C@@H](CCC(=O)N[C@H](CS[C@H](O)OCC1=CC=C(C=C1)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O
Độ hòa tan
2.86e-01 g/l
logP
-2.7
logS
-3.2
pKa (strongest acidic)
1.76
pKa (Strongest Basic)
9.31
PSA
234.1 Å2
Refractivity
113.39 m3·mol-1
Polarizability
46.55 Å3
Rotatable Bond Count
15
H Bond Acceptor Count
11
H Bond Donor Count
6
Physiological Charge
-1
Number of Rings
1
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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