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1365267-37-3 | Benzoic acid, 2-[[[[(5S)-2-oxo-3-[4-(3-oxo-4-Morpholinyl)phenyl]-5-oxazolidinyl]Methyl]aMino]carbonyl]-
CAS No: 1365267-37-3 Catalog No: AG009C9M MDL No:
Product Description
Catalog Number:
AG009C9M
Chemical Name:
Benzoic acid, 2-[[[[(5S)-2-oxo-3-[4-(3-oxo-4-Morpholinyl)phenyl]-5-oxazolidinyl]Methyl]aMino]carbonyl]-
CAS Number:
1365267-37-3
Molecular Formula:
C22H21N3O7
Molecular Weight:
439.4180
IUPAC Name:
2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methylcarbamoyl]benzoic acid
InChI:
InChI=1S/C22H21N3O7/c26-19-13-31-10-9-24(19)14-5-7-15(8-6-14)25-12-16(32-22(25)30)11-23-20(27)17-3-1-2-4-18(17)21(28)29/h1-8,16H,9-13H2,(H,23,27)(H,28,29)/t16-/m0/s1
InChI Key:
OXEFOWVRNIRGLF-INIZCTEOSA-N
SMILES:
O=C1O[C@H](CN1c1ccc(cc1)N1CCOCC1=O)CNC(=O)c1ccccc1C(=O)O
Properties
Complexity:
737
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
439.138g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
439.424g/mol
Monoisotopic Mass:
439.138g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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