Tìm theo
N-[(BENZYLOXY)CARBONYL]-L-CYSTEINYLGLYCINE
Thuốc Gốc
Small Molecule
CTHH: C13H16N2O5S
PTK: 312.342
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
312.342
Monoisotopic mass
312.077992322
InChI
InChI=1S/C13H16N2O5S/c16-11(17)6-14-12(18)10(8-21)15-13(19)20-7-9-4-2-1-3-5-9/h1-5,10,21H,6-8H2,(H,14,18)(H,15,19)(H,16,17)/t10-/m0/s1
InChI Key
InChIKey=DHTSUHYTYUXMOL-JTQLQIEISA-N
IUPAC Name
2-[(2R)-2-{[(benzyloxy)carbonyl]amino}-3-sulfanylpropanamido]acetic acid
Traditional IUPAC Name
[(2R)-2-{[(benzyloxy)carbonyl]amino}-3-sulfanylpropanamido]acetic acid
SMILES
[H][C@@](CS)(NC(=O)OCC1=CC=CC=C1)C(=O)NCC(O)=O
Độ hòa tan
1.94e-01 g/l
logP
0.53
logS
-3.2
pKa (strongest acidic)
3.54
pKa (Strongest Basic)
-5.5
PSA
104.73 Å2
Refractivity
76.71 m3·mol-1
Polarizability
30.38 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
4
H Bond Donor Count
4
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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