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ImmTher

CAT: 0013-GTR19248812-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19248812-02Size:50 mg
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Description
ImmTher is a liposome-encapsulated lipophilic disaccharide tripeptide derivative of muramyl dipeptide. It can upregulate specific monocyte cytokine genes and activate monocyte-mediated tumoricidal activity.
CAS Number
143005-30-5
Smiles
C[C@@H] (C (NC ([C@H] (NC ([C@H] (C) N) =O) CCC (N) =O) =O) =O) N (C (C (O[C@H]1[C@@H] ([C@H] (O[C@@H] ([C@@H]1NC (C) =O) O) CO) O[C@H]2[C@H] (NC (C) =O) [C@H] ([C@@H] ([C@@H] (CO) O2) O) O) C) =O) C[C@H] (OC (CCCCCCCCCCCCCCC) =O) COC (CCCCCCCCCCCCCCC) =O
Molecular Formula
C65H117N7O20
Molecular Weight
1316.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[(2S)-3-[2-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl-[(2S)-1-[[(2R)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoyl]amino]-1-oxopropan-2-yl]amino]-2-hexadecanoyloxypropyl] hexadecanoate
CAS Number143005-30-5
PubChem CID168434466
IUPAC Name[(2S)-3-[2-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl-[(2S)-1-[[(2R)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoyl]amino]-1-oxopropan-2-yl]amino]-2-hexadecanoyloxypropyl] hexadecanoate
Molecular FormulaC65H117N7O20
Molecular Weight1316.7
XLogP7.8
Topological Polar Surface Area414
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count21
Rotatable Bond Count52
Heavy Atom Count92
Formal Charge0
Complexity2170
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](CN([C@@H](C)C(=O)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@H](C)N)C(=O)C(C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO)O)NC(=O)C)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C65H117N7O20/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-52(78)87-41-47(89-53(79)35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)38-72(43(4)61(83)71-62(84)48(36-37-51(67)77)70-60(82)42(3)66)63(85)44(5)88-59-55(69-46(7)76)64(86)90-50(40-74)58(59)92-65-54(68-45(6)75)57(81)56(80)49(39-73)91-65/h42-44,47-50,54-59,64-65,73-74,80-81,86H,8-41,66H2,1-7H3,(H2,67,77)(H,68,75)(H,69,76)(H,70,82)(H,71,83,84)/t42-,43-,44?,47-,48+,49+,50+,54+,55+,56+,57+,58+,59+,64-,65-/m0/s1
InChIKey
BMAIVTZQNNNINA-HNQORNRBSA-N
Chemical Structure
2D Structure
2D structure of [(2S)-3-[2-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl-[(2S)-1-[[(2R)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoyl]amino]-1-oxopropan-2-yl]amino]-2-hexadecanoyloxypropyl] hexadecanoate
CAS: 143005-30-5
CID: 168434466
Formula: C65H117N7O20
MW: 1316.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1316.7
XLogP37.8
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count21
Rotatable Bond Count52
Exact Mass1315.83533915
Monoisotopic Mass1315.83533915
Topological Polar Surface Area414 Ų
Heavy Atom Count92
Formal Charge0
Complexity2170
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-143686ImmTher

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