Basic information
- CAS
74817-61-1- Standard SMILES
CCCCOC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@H](C)OC1C(O)C(CO)OC(O)C1NC(C)=O- InChIKey
ZDSXRJABOCTJTD-MLRLIGJLSA-N- Molecular formula
- C23H40N4O11
- Average molar mass
- 548.6 g/mol
- Monoisotopic mass
- 548.2693581
Overview
See also: Murabutide (annotation moved to).
Names & identifiers
- Preferred name
- 3-O-[1-({1-[(1-Butoxy-5-hydroxy-5-imino-1-oxopentan-2-yl)imino]-1-hydroxypropan-2-yl}imino)-1-hydroxypropan-2-yl]-2-deoxy-2-[(1-hydroxyethylidene)amino]hexopyranose
- IUPAC
- butyl (2R)-2-[[(2R)-2-[[(2S)-2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoate
- English name
- Murabutide
- Molecular formula
- C23H40N4O11
- Molecular weight
- 548.58
Names & synonyms
SCHEMBL15531967DTXSID00996338NS001271513-O-[(2S)-1-{[(2R)-1-{[(2R)-1-Butoxy-5-hydroxy-5-imino-1-oxopentan-2-yl]imino}-1-hydroxypropan-2-yl]imino}-1-hydroxypropan-2-yl]-2-deoxy-2-[(1-hydroxyethylidene)amino]hexopyranose3-O-[1-({1-[(1-Butoxy-5-hydroxy-5-imino-1-oxopentan-2-yl)imino]-1-hydroxypropan-2-yl}imino)-1-hydroxypropan-2-yl]-2-deoxy-2-[(1-hydroxyethylidene)amino]hexopyranoseMurabutideN-acetylmuramyl-alanylglutamine-n-butyl esterD-Glutamine, N-(N-acetylmuramoyl)-L-alanyl-, butyl ester
Database identifiers
- CAS
74817-61-1- PubChem CID
- 5362018
- DTXSID
DTXSID00996338
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 236 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 16
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 827
Physicochemical properties
- Boiling point
- 971.7 · 971.7±65.0 °C(Predicted)
- Density
- 1.278 · 1.278±0.06 g/cm3(Predicted)
- pka
- 13.13 · 13.13±0.20(Predicted)
- FDA UNII
- 88121 G1PKA · 88121G1PKA
Chemistry & industry
Applications
UsesMurabutide is a safe synthetic immunomodulator. Murabutide can reduce CD4 and CCR5 receptor expression and secrete high levels of beta-chemokines. Murabutide enhances nonspecific resistance against viral infections. Murabutide did not affect virus entry, reverse transcriptase activity or early proviral DNA formation in the cytoplasm of infected cells[1].
Suppliers3 total
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]
杭州肽佳生物科技有限公司0571-87213919 15967184799 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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