200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 863918-60-9
863918-60-9 | 1-ALPHA-O-BENZYL-N-ACETYLMURAMYL-ALA-D-ISOGLN-LYS(TRANS(M-NITROCINNAMOYL)-NH2)-NH2
CAS No: 863918-60-9 Catalog No: AG00H24W MDL No:
Product Description
Catalog Number:
AG00H24W
Chemical Name:
1-ALPHA-O-BENZYL-N-ACETYLMURAMYL-ALA-D-ISOGLN-LYS(TRANS(M-NITROCINNAMOYL)-NH2)-NH2
CAS Number:
863918-60-9
IUPAC Name:
(2R)-2-[[(2S)-2-[[(2R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-N'-[(2S)-1-amino-6-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1-oxohexan-2-yl]pentanediamide
InChI:
InChI=1S/C41H56N8O14/c1-23(45-40(58)24(2)62-36-34(46-25(3)51)41(63-31(21-50)35(36)54)61-22-27-10-5-4-6-11-27)39(57)48-30(38(43)56)16-18-33(53)47-29(37(42)55)14-7-8-19-44-32(52)17-15-26-12-9-13-28(20-26)49(59)60/h4-6,9-13,15,17,20,23-24,29-31,34-36,41,50,54H,7-8,14,16,18-19,21-22H2,1-3H3,(H2,42,55)(H2,43,56)(H,44,52)(H,45,58)(H,46,51)(H,47,53)(H,48,57)/b17-15+/t23-,24+,29-,30+,31+,34+,35+,36+,41-/m0/s1
InChI Key:
KMVFLMCZFRXUJZ-UMEULFLQSA-N
Properties
Complexity:
1590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
1
Exact Mass:
884.392g/mol
Formal Charge:
0
Heavy Atom Count:
63
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
884.941g/mol
Monoisotopic Mass:
884.392g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
346A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Literature
| Title | Journal |
|---|---|
| A novel immunostimulator, N-[alpha-O-benzyl-N-(acetylmuramyl)-L-alanyl-D-isoglutaminyl]-N6-trans-(m-nitrocinnamoyl)-L-lysine, and its adjuvancy on the hepatitis B surface antigen. | Journal of medicinal chemistry 20050811 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.