CID 40944174
PubChem CID
40944174
Structure
Molecular Formula
Status
Non-live
Molecular Weight
437.5 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
(2S)-2-[[(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]-2-phenylacetate
InChI=1S/C23H26N4O5/c1-3-14(2)19(21(29)25-20(22(30)31)15-9-5-4-6-10-15)26-23(32)27-13-18(28)24-16-11-7-8-12-17(16)27/h4-12,14,19-20H,3,13H2,1-2H3,(H,24,28)(H,25,29)(H,26,32)(H,30,31)/p-1/t14-,19-,20-/m0/s1
VKPFZCMHCWMCPF-GKCIPKSASA-M
CC[C@H](C)[C@@H](C(=O)N[C@@H](C1=CC=CC=C1)C(=O)[O-])NC(=O)N2CC(=O)NC3=CC=CC=C32
C23H25N4O5-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
437.5 g/mol
Property Name
XLogP3-AA
Property Value
3.1
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
437.18249491 g/mol
Property Name
Monoisotopic Mass
Property Value
437.18249491 g/mol
Property Name
Topological Polar Surface Area
Property Value
131 A^2
Property Name
Heavy Atom Count
Property Value
32
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
703
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
3
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