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Glucosaminylmuramyl dipeptide

CAT: 0013-GTR19273905-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273905-01Size:10 mg
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Description
Glucosaminylmuramyl dipeptide (GMDP) is an analog of muramyl-dipeptide. It inhibits 5'-nucleotidase activity and has significant antitumor effects. GMDP can be utilized in sepsis research.
CAS Number
70280-03-4
Smiles
O ([C@@H] ([C@@H] ([C@@H] (NC (C) =O) C=O) O[C@@H] (C (N[C@H] (C (N[C@H] (CCC (O) =O) C (N) =O) =O) C) =O) C) [C@@H] (CO) O) [C@H]1[C@H] (NC (C) =O) [C@@H] (O) [C@H] (O) [C@@H] (CO) O1
Molecular Formula
C27H45N5O16
Molecular Weight
695.68
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Gmdp

Glucosaminylmuramyl dipeptide is a dipeptide.

CAS Number70280-03-4
PubChem CID5486810
IUPAC Name(4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5R)-2-acetamido-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxy-1-oxohexan-3-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoic acid
Molecular FormulaC27H45N5O16
Molecular Weight695.7
XLogP-6.2
Topological Polar Surface Area343
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count16
Rotatable Bond Count20
Heavy Atom Count48
Formal Charge0
Complexity1140
SMILES
C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)NC(=O)[C@@H](C)O[C@H]([C@H](C=O)NC(=O)C)[C@@H]([C@@H](CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C
InChI
InChI=1S/C27H45N5O16/c1-10(25(44)32-14(24(28)43)5-6-18(39)40)29-26(45)11(2)46-22(15(7-33)30-12(3)36)23(16(38)8-34)48-27-19(31-13(4)37)21(42)20(41)17(9-35)47-27/h7,10-11,14-17,19-23,27,34-35,38,41-42H,5-6,8-9H2,1-4H3,(H2,28,43)(H,29,45)(H,30,36)(H,31,37)(H,32,44)(H,39,40)/t10-,11+,14+,15-,16+,17+,19+,20+,21+,22+,23+,27-/m0/s1
InChIKey
JPBBNLWRCVBGJS-KCAUTNRHSA-N
Chemical Structure
2D Structure
2D structure of Gmdp
CAS: 70280-03-4
CID: 5486810
Formula: C27H45N5O16
MW: 695.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight695.7
XLogP3-6.2
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count16
Rotatable Bond Count20
Exact Mass695.28613036
Monoisotopic Mass695.28613036
Topological Polar Surface Area343 Ų
Heavy Atom Count48
Formal Charge0
Complexity1140
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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