Tìm theo
2-[(Formyl-Hydroxy-Amino)-Methyl]-Heptanoic Acid [1-(2-Hydroxymethyl-Pyrrolidine-1-Carbonyl)-2-Methy
Thuốc Gốc
Small Molecule
CAS: 13434-13-4
CTHH: C19H35N3O5
PTK: 385.4983
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C19H35N3O5
Phân tử khối
385.4983
Monoisotopic mass
385.257671245
InChI
InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
InChI Key
InChIKey=XJLATMLVMSFZBN-VYDXJSESSA-N
IUPAC Name
(2R)-N-hydroxy-N'-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-pentylbutanediamide
Traditional IUPAC Name
(2R)-N-hydroxy-N'-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-pentylbutanediamide
SMILES
[H][C@@](CCCCC)(CC(=O)NO)C(=O)N[C@@]([H])(C(C)C)C(=O)N1CCC[C@@]1([H])CO
Độ hòa tan
3.03e+00 g/l
logP
0.88
logS
-2.1
pKa (strongest acidic)
8.9
pKa (Strongest Basic)
-0.4
PSA
118.97 Å2
Refractivity
101.51 m3·mol-1
Polarizability
42.57 Å3
Rotatable Bond Count
11
H Bond Acceptor Count
5
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04310
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=443600
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505294
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C12056
ChemSpider
http://www.chemspider.com/Chemical-Structure.391756.html
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