Molecule

ID:67378

General Information
Structure
Molecular Formula
C₁₅H₂₃N₆O₅S
Molecular Mass
399.44532
Exact Mass
399.14506387
Charge
0
InChI
InChI=1S/C15H23N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H,24,25)(H2,17,18,19)/t7-,8+,10+,11+,14+/m0/s1
InChIKey
MMCXBMRNEYDXKG-TWBCTODHSA-N
Canonic Smiles
C[S](C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)CC[C@@H](C(=O)O)N
Isomeric Smiles
C(=O)([C@@H](N)CC[S](C)C[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)n1cnc2c(N)ncnc12)O
Calculated Properties
JChem
H Acceptors
0
H Donor
0
Molar Refractivity
96.2349
Polar Surface Area
182.63
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation