1-Hydroxy-2-S-Glutathionyl-3-Para-Nitrophenoxy-Propane
Thuốc Gốc
Small Molecule
CTHH: C19H26N4O10S
PTK: 502.496
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C19H26N4O10S
Phân tử khối
502.496
Monoisotopic mass
502.136963762
InChI
InChI=1S/C19H26N4O10S/c20-14(19(29)30)5-6-16(25)22-15(18(28)21-7-17(26)27)10-34-13(8-24)9-33-12-3-1-11(2-4-12)23(31)32/h1-4,13-15,24H,5-10,20H2,(H,21,28)(H,22,25)(H,26,27)(H,29,30)/t13-,14+,15-/m1/s1
InChI Key
InChIKey=YWXHXYSGHBAIBL-QLFBSQMISA-N
IUPAC Name
(2S)-2-amino-4-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-{[(2R)-1-hydroxy-3-(4-nitrophenoxy)propan-2-yl]sulfanyl}ethyl]carbamoyl}butanoic acid
Traditional IUPAC Name
(2S)-2-amino-4-{[(1S)-1-(carboxymethylcarbamoyl)-2-{[(2R)-1-hydroxy-3-(4-nitrophenoxy)propan-2-yl]sulfanyl}ethyl]carbamoyl}butanoic acid
SMILES
N[C@@H](CCC(=O)N[C@H](CS[C@H](CO)COC1=CC=C(C=C1)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O
Độ hòa tan
2.74e-01 g/l
logP
-4
logS
-3.3
pKa (strongest acidic)
1.8
pKa (Strongest Basic)
9.31
PSA
234.1 Å2
Refractivity
117.84 m3·mol-1
Polarizability
48.54 Å3
Rotatable Bond Count
16
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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