CID 51843807
PubChem CID
51843807
Structure
Molecular Formula
Status
Non-live
Molecular Weight
440.6 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
(2S,3S)-2-[(5-methylfuran-2-yl)methyl-propanoylamino]-3-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
InChI=1S/C27H40N2O3/c1-9-23(30)29(17-22-16-15-19(2)32-22)24(20(3)21-13-11-10-12-14-21)25(31)28-27(7,8)18-26(4,5)6/h10-16,20,24H,9,17-18H2,1-8H3,(H,28,31)/t20-,24-/m0/s1
WUFZFVQTRZLHBM-RDPSFJRHSA-N
CCC(=O)N(CC1=CC=C(O1)C)[C@@H]([C@@H](C)C2=CC=CC=C2)C(=O)NC(C)(C)CC(C)(C)C
C27H40N2O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
440.6 g/mol
Property Name
XLogP3-AA
Property Value
5.6
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
10
Property Name
Exact Mass
Property Value
440.30389314 g/mol
Property Name
Monoisotopic Mass
Property Value
440.30389314 g/mol
Property Name
Topological Polar Surface Area
Property Value
62.6 A^2
Property Name
Heavy Atom Count
Property Value
32
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
619
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
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
CONTENTS