200,000+ products from a single source!
sales@angenechem.com
188559-22-0 | 6-Octyne-1,3-dione, 2-[(1S)-1-[3-[bis(phenylmethyl)amino]phenyl]propyl]-5-hydroxy-1-[(4R)-2-oxo-4-phenyl-3-oxazolidinyl]-5-(2-phenylethyl)-, (2S,5R)-
CAS No: 188559-22-0 Catalog No: AG002GYQ MDL No:
Product Description
Catalog Number:
AG002GYQ
Chemical Name:
6-Octyne-1,3-dione, 2-[(1S)-1-[3-[bis(phenylmethyl)amino]phenyl]propyl]-5-hydroxy-1-[(4R)-2-oxo-4-phenyl-3-oxazolidinyl]-5-(2-phenylethyl)-, (2S,5R)-
CAS Number:
188559-22-0
Molecular Formula:
C48H48N2O5
Molecular Weight:
732.9051
IUPAC Name:
(2S,5R)-2-[(1S)-1-[3-(dibenzylamino)phenyl]propyl]-5-hydroxy-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-5-(2-phenylethyl)oct-6-yne-1,3-dione
InChI:
InChI=1S/C48H48N2O5/c1-3-29-48(54,30-28-36-18-9-5-10-19-36)32-44(51)45(46(52)50-43(35-55-47(50)53)39-24-15-8-16-25-39)42(4-2)40-26-17-27-41(31-40)49(33-37-20-11-6-12-21-37)34-38-22-13-7-14-23-38/h5-27,31,42-43,45,54H,4,28,30,32-35H2,1-2H3/t42-,43+,45+,48-/m1/s1
InChI Key:
NWQXDMCBNUXVPH-OOYLSIGHSA-N
SMILES:
CC#C[C@](CC(=O)[C@@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@@H](c1cccc(c1)N(Cc1ccccc1)Cc1ccccc1)CC)(CCc1ccccc1)O
Properties
Complexity:
1280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
732.356g/mol
Formal Charge:
0
Heavy Atom Count:
55
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
732.921g/mol
Monoisotopic Mass:
732.356g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.