BOC-GAMMA-D-GLU-L-LYS(CBZ)-D-BOROALA
Thuốc Gốc
Small Molecule
CTHH: C26H41BN4O10
PTK: 580.436
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C26H41BN4O10
Phân tử khối
580.436
Monoisotopic mass
580.291574018
InChI
InChI=1S/C26H41BN4O10/c1-17(27(38)39)29-22(33)19(12-8-9-15-28-24(36)40-16-18-10-6-5-7-11-18)30-21(32)14-13-20(23(34)35)31-25(37)41-26(2,3)4/h5-7,10-11,17,19-20,38-39H,8-9,12-16H2,1-4H3,(H,28,36)(H,29,33)(H,30,32)(H,31,37)(H,34,35)/t17-,19+,20+/m1/s1
InChI Key
InChIKey=OTTYWVUOPWENAJ-HOJAQTOUSA-N
IUPAC Name
(2S)-4-{[(1S)-5-{[(benzyloxy)carbonyl]amino}-1-{[(1S)-1-(dihydroxyboranyl)ethyl]carbamoyl}pentyl]carbamoyl}-2-{[(tert-butoxy)carbonyl]amino}butanoic acid
Traditional IUPAC Name
(2S)-4-{[(1S)-5-{[(benzyloxy)carbonyl]amino}-1-{[(1S)-1-(dihydroxyboranyl)ethyl]carbamoyl}pentyl]carbamoyl}-2-[(tert-butoxycarbonyl)amino]butanoic acid
SMILES
C[C@@H](NC(=O)[C@H](CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(O)=O)B(O)O
Độ hòa tan
2.37e-02 g/l
logP
1.69
logS
-4.4
pKa (strongest acidic)
3.72
pKa (Strongest Basic)
-0.81
PSA
212.62 Å2
Refractivity
141.61 m3·mol-1
Polarizability
60.95 Å3
Rotatable Bond Count
19
H Bond Acceptor Count
8
H Bond Donor Count
7
Physiological Charge
-1
Number of Rings
1
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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