1-(2-Ethanone)-2-Hydroxy-2-(1-Amino-2-Methyl-2-Ethanol)-4-(2-Dimethyl)Ethane-Imidazoline-5-One;Chrom
Thuốc Gốc
Small Molecule
CTHH: C12H21N3O4
PTK: 271.3128
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C12H21N3O4
Phân tử khối
271.3128
Monoisotopic mass
271.153206175
InChI
InChI=1S/C12H21N3O4/c1-7(2)6-9-11(18)15(4-5-16)12(19,14-9)10(13)8(3)17/h5,7-8,10,17,19H,4,6,13H2,1-3H3/t8-,10+,12+/m0/s1
InChI Key
InChIKey=WOCXRZLDLXIZRL-MKPLZMMCSA-N
IUPAC Name
2-[(2R)-2-[(1R,2S)-1-amino-2-hydroxypropyl]-2-hydroxy-4-(2-methylpropyl)-5-oxo-2,5-dihydro-1H-imidazol-1-yl]acetaldehyde
Traditional IUPAC Name
chromophore (thr-leu-gly)
SMILES
CC(C)CC1=N[C@](O)([C@H](N)[C@H](C)O)N(CC=O)C1=O
Độ hòa tan
4.87e+00 g/l
logP
-0.54
logS
-1.8
pKa (strongest acidic)
10.08
pKa (Strongest Basic)
7.36
PSA
116.22 Å2
Refractivity
68.94 m3·mol-1
Polarizability
27.95 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
6
H Bond Donor Count
3
Physiological Charge
1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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