Tìm theo
1-Menaphthyl Glutathione Conjugate
Thuốc Gốc
Small Molecule
CTHH: C21H25N3O6S
PTK: 447.505
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C21H25N3O6S
Phân tử khối
447.505
Monoisotopic mass
447.146406237
InChI
InChI=1S/C21H25N3O6S/c22-16(21(29)30)8-9-18(25)24-17(20(28)23-10-19(26)27)12-31-11-14-6-3-5-13-4-1-2-7-15(13)14/h1-7,16-17H,8-12,22H2,(H,23,28)(H,24,25)(H,26,27)(H,29,30)/t16-,17+/m0/s1
InChI Key
InChIKey=IHZCIRSQSFPOLH-DLBZAZTESA-N
IUPAC Name
(2S)-2-amino-4-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-[(naphthalen-1-ylmethyl)sulfanyl]ethyl]carbamoyl}butanoic acid
Traditional IUPAC Name
(2S)-2-amino-4-{[(1S)-1-(carboxymethylcarbamoyl)-2-[(naphthalen-1-ylmethyl)sulfanyl]ethyl]carbamoyl}butanoic acid
SMILES
N[C@@H](CCC(=O)N[C@H](CSCC1=CC=CC2=C1C=CC=C2)C(=O)NCC(O)=O)C(O)=O
Độ hòa tan
1.04e-02 g/l
logP
-1.9
logS
-4.6
pKa (strongest acidic)
1.81
pKa (Strongest Basic)
9.31
PSA
158.82 Å2
Refractivity
114.88 m3·mol-1
Polarizability
46.07 Å3
Rotatable Bond Count
12
H Bond Acceptor Count
7
H Bond Donor Count
5
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
... loading
... loading