GSHNA
Thuốc Gốc
Small Molecule
CTHH: C19H33N3O8S
PTK: 463.546
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C19H33N3O8S
Phân tử khối
463.546
Monoisotopic mass
463.198835737
InChI
InChI=1S/C19H33N3O8S/c1-2-3-4-5-13-14(8-17(26)30-13)31-10-12(18(27)21-9-16(24)25)22-15(23)7-6-11(20)19(28)29/h11-14,17,26H,2-10,20H2,1H3,(H,21,27)(H,22,23)(H,24,25)(H,28,29)/t11-,12+,13+,14-,17+/m0/s1
InChI Key
InChIKey=ICRIFHIWWXQBPY-GMIGGYDBSA-N
IUPAC Name
(2S)-2-amino-4-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-{[(2R,3S,5R)-5-hydroxy-2-pentyloxolan-3-yl]sulfanyl}ethyl]carbamoyl}butanoic acid
Traditional IUPAC Name
(2S)-2-amino-4-{[(1S)-1-(carboxymethylcarbamoyl)-2-{[(2R,3S,5R)-5-hydroxy-2-pentyloxolan-3-yl]sulfanyl}ethyl]carbamoyl}butanoic acid
SMILES
CCCCC[C@H]1O[C@@H](O)C[C@@H]1SC[C@@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
Độ hòa tan
5.94e-01 g/l
logP
-2.8
logS
-2.9
pKa (strongest acidic)
1.81
pKa (Strongest Basic)
9.31
PSA
188.28 Å2
Refractivity
110.91 m3·mol-1
Polarizability
48.77 Å3
Rotatable Bond Count
15
H Bond Acceptor Count
9
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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