Tìm theo
(2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid
Thuốc Gốc
Small Molecule
CTHH: C21H30N2O4
PTK: 374.4739
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C21H30N2O4
Phân tử khối
374.4739
Monoisotopic mass
374.220557458
InChI
InChI=1S/C21H30N2O4/c1-21(2,3)27-20(26)22-13-9-5-4-6-11-16(19(24)25)17-14-23-18-12-8-7-10-15(17)18/h7-8,10,12,14,16,23H,4-6,9,11,13H2,1-3H3,(H,22,26)(H,24,25)/t16-/m0/s1
InChI Key
InChIKey=AWVCKFLATUTBCX-INIZCTEOSA-N
IUPAC Name
(2S)-8-{[(tert-butoxy)carbonyl]amino}-2-(1H-indol-3-yl)octanoic acid
Traditional IUPAC Name
(2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid
SMILES
[H][C@@](CCCCCCNC(=O)OC(C)(C)C)(C(O)=O)C1=CNC2=C1C=CC=C2
Độ hòa tan
3.03e-03 g/l
logP
4.42
logS
-5.1
pKa (strongest acidic)
4.76
PSA
91.42 Å2
Refractivity
104.49 m3·mol-1
Polarizability
42.48 Å3
Rotatable Bond Count
11
H Bond Acceptor Count
3
H Bond Donor Count
3
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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