Basic information
- CAS
111337-87-2- Standard SMILES
C/C=C\C=C\C(=O)NC[C@H](O)C[C@@H](N)CC(=O)NCCC(=N)N.Cl.Cl- InChIKey
OQKJNDABNFAQAJ-JDZFPWRWSA-N- Molecular formula
- C15H29Cl2N5O3
- Average molar mass
- 398.3 g/mol
- Monoisotopic mass
- 397.1647452
Names & identifiers
- Preferred name
- L-threo-Hexonamide, 3-amino-N-(3-amino-3-iminopropyl)-6-((1-oxo-2,4-hexadienyl)amino)-2,3,4,6-tetradeoxy-, (E,Z)-, dihydrochloride
- IUPAC
- (3R,5R)-3-amino-N-(3-amino-3-iminopropyl)-6-[[(2E,4Z)-hexa-2,4-dienoyl]amino]-5-hydroxyhexanamide;dihydrochloride
- English name
- Sperabillin a
- Molecular formula
- C15H29Cl2N5O3
- Molecular weight
- 398.32846
Names & synonyms
Sperabillin A (HCl)111337-87-2Sperabillin A dihydrochlorideSperabillin A (dihydrochloride)L-threo-Hexonamide, 3-amino-N-(3-amino-3-iminopropyl)-6-((1-oxo-2,4-hexadienyl)amino)-2,3,4,6-tetradeoxy-, (E,Z)-, dihydrochloride(3R,5R)-3-amino-N-(3-amino-3-iminopropyl)-6-[[(2E,4Z)-hexa-2,4-dienoyl]amino]-5-hydroxyhexanamide;dihydrochlorideHY-114585A(2E,4Z)-N-((2R,4R)-4-amino-6-((3-amino-3-iminopropyl)amino)-2-hydroxy-6-oxohexyl)hexa-2,4-dienamide dihydrochlorideDA-77971CS-0109210
Database identifiers
- CAS
111337-87-2- PubChem CID
- 6448060
Properties
Computed structural properties
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 448
Chemistry & industry
Applications
DescriptionSperabillin A (HCl) is an antibacterial antibiotic with potent in vivo activity, isolated from Pseudomonas fluorescens YK-437.
UsesSperabillin A (dihydrochloride)is new inhibitors ofglutathione S-transferaseisolated from the culture broth ofStreptomyces sp[1].
Suppliers2 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
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Compound notes
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