Basic information
- CAS
115236-65-2- Standard SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@@H](O)[C@@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]5C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c5cc(O)cc(O)c5-c5cc3ccc5O)[C@H](O)c3ccc(c(Cl)c3)O4)O[C@H](CO)[C@@H](O)[C@@H]2O)C[C@](C)(N)[C@@H]1O- InChIKey
SSCUQZZTTLVMFJ-LCEIAXBHSA-N- Molecular formula
- C59H62Cl2N8O23
- Average molar mass
- 1,322.1 g/mol
- Monoisotopic mass
- 1,320.3304856
Names & identifiers
- Preferred name
- Vancomycin hexapeptide
- IUPAC
- (1S,2R,18R,19R,22S,25R,28R,40S)-19-amino-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid
- English name
- Vancomycin hexapeptide
- Molecular formula
- C59H62Cl2N8O23
- Molecular weight
- 1322.07
Names & synonyms
Vancomycin hexapeptideDesleucyl vancomycin115236-65-2ARD170144Vancomycin, 49-de(4-methyl-2-(methylamino)-1-oxopentyl)-Vancomycin Hexapeptide; Vancomycin, 49-de[4-methyl-2-(methylamino)-1-oxopentyl]- (9CI)PubChem ID: 189282Desmethylleucyl VancomycinVancomycin, 49-de[4-methyl-2-(methylamino)-1-oxopentyl]- (9CI)
Database identifiers
- CAS
115236-65-2- PubChem CID
- 189282
Properties
Computed structural properties
- XLogP
- -4.2
- Topological polar surface area
- 515 Ų
- Hydrogen bond donors
- 18
- Hydrogen bond acceptors
- 25
- Rotatable bonds
- 8
- Heavy atoms
- 92
- Formal charge
- 0
- Complexity
- 2,690
Chemistry & industry
Applications
UsesVancomycin Hexapeptide is a derivative of Vancomycin (V096500), an amphoteric glycopeptide antibiotic produced by Streptomyces orientalis discovered in soil. Inhibits bacterial cell wall synthesis by binding to peptidoglycan. Antibacterial.
Suppliers7 total
南京世洲生物科技有限公司13675144456 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
成都大道三灵生物科技有限公司18108108965 18108108965 · [email protected]
维百奥（北京）生物科技有限公司13621190864 13691409741 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
南京肽业生物科技有限公司025-58361106-805 15951641583 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
Related reactions
0 records
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Compound notes
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