CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONE
Thuốc Gốc
Small Molecule
CTHH: C22H36N2O5
PTK: 408.5316
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
408.5316
Monoisotopic mass
408.262422272
InChI
InChI=1S/C22H36N2O5/c1-15(2)11-18(20(25)14-28-5)23-21(26)19(12-16(3)4)24-22(27)29-13-17-9-7-6-8-10-17/h6-10,15-16,18-20,25H,11-14H2,1-5H3,(H,23,26)(H,24,27)/t18-,19-,20+/m0/s1
InChI Key
InChIKey=LHCNZPLAATYYPI-SLFFLAALSA-N
IUPAC Name
benzyl N-[(1S)-1-{[(2S,3S)-2-hydroxy-1-methoxy-5-methylhexan-3-yl]carbamoyl}-3-methylbutyl]carbamate
Traditional IUPAC Name
benzyl N-[(1S)-1-{[(2S,3S)-2-hydroxy-1-methoxy-5-methylhexan-3-yl]carbamoyl}-3-methylbutyl]carbamate
SMILES
[H][C@@](O)(COC)[C@]([H])(CC(C)C)NC(=O)[C@]([H])(CC(C)C)NC(=O)OCC1=CC=CC=C1
Độ hòa tan
3.93e-02 g/l
logP
3.25
logS
-4
pKa (strongest acidic)
13.38
pKa (Strongest Basic)
-2.8
PSA
96.89 Å2
Refractivity
111.67 m3·mol-1
Polarizability
46.27 Å3
Rotatable Bond Count
13
H Bond Acceptor Count
4
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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