CID 32363156
PubChem CID
32363156
Structure
Molecular Formula
Status
Non-live
Molecular Weight
400.5 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
methyl 7-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]amino]heptanoate
InChI=1S/C18H28N2O6S/c1-14(18(22)19-13-7-5-4-6-8-17(21)26-3)20-27(23,24)16-11-9-15(25-2)10-12-16/h9-12,14,20H,4-8,13H2,1-3H3,(H,19,22)/t14-/m0/s1
HFMUGVMRIMSJDJ-AWEZNQCLSA-N
C[C@@H](C(=O)NCCCCCCC(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)OC
C18H28N2O6S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
400.5 g/mol
Property Name
XLogP3-AA
Property Value
2
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
13
Property Name
Exact Mass
Property Value
400.16680779 g/mol
Property Name
Monoisotopic Mass
Property Value
400.16680779 g/mol
Property Name
Topological Polar Surface Area
Property Value
119 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
553
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS