S-(N-Hydroxy-N-Bromophenylcarbamoyl)Glutathione
Thuốc Gốc
Small Molecule
CTHH: C17H23BrN4O8S
PTK: 523.356
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C17H23BrN4O8S
Phân tử khối
523.356
Monoisotopic mass
522.041997069
InChI
InChI=1S/C17H23BrN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,17,29-30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t11-,12+,17-/m0/s1
InChI Key
InChIKey=OGZMPQOWGQBWAV-JKDFXYPNSA-N
IUPAC Name
(2S)-2-amino-4-{[(1S)-2-{[(S)-[(4-bromophenyl)(hydroxy)amino](hydroxy)methyl]sulfanyl}-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}butanoic acid
Traditional IUPAC Name
(2S)-2-amino-4-{[(1S)-2-{[(S)-[(4-bromophenyl)(hydroxy)amino](hydroxy)methyl]sulfanyl}-1-(carboxymethylcarbamoyl)ethyl]carbamoyl}butanoic acid
SMILES
N[C@@H](CCC(=O)N[C@H](CS[C@H](O)N(O)C1=CC=C(Br)C=C1)C(=O)NCC(O)=O)C(O)=O
Độ hòa tan
4.97e-01 g/l
logP
-2
logS
-3
pKa (strongest acidic)
1.77
pKa (Strongest Basic)
9.31
PSA
202.52 Å2
Refractivity
122.92 m3·mol-1
Polarizability
45.98 Å3
Rotatable Bond Count
13
H Bond Acceptor Count
10
H Bond Donor Count
7
Physiological Charge
-1
Number of Rings
1
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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