Bacilysin
Also known as Tetaine, Antibiotic km-208, N-L-Alanyl-3-(5-oxo-7-oxabicyclo(4.1.0)hept-2-yl)-L-alanine
Key facts
What buyers check first
What is Bacilysin?
Plain description, key identifiers and synonyms
Bacilysin is a non-ribosomally synthesised dipeptide that consists of L-alanyl and anticapsin units linked by a peptide bond. It has a role as a metabolite. It is a peptide antibiotic, an epoxide, an alicyclic ketone and a dipeptide. It is a tautomer of a bacilysin zwitterion.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid
- CAS number
- 29393-20-2 CAS number cross-checked
- Molecular formula
- C12H18N2O5
- UNII
- 90R5Q4BW17
- InChIKey
- XFOUAXMJRHNTOP-PFQXTLEHSA-N
- InChI
- InChI=1S/C12H18N2O5/c1-5(13)11(16)14-7(12(17)18)4-6-2-3-8(15)10-9(6)19-10/h5-7,9-10H,2-4,13H2,1H3,(H,14,16)(H,17,18)/t5-,6-,7-,9+,10-/m0/s1
- Canonical SMILES
- CC(N)C(=O)NC(CC1CCC(=O)C2OC12)C(=O)O
- Isomeric SMILES
- C[C@@H](C(=O)N[C@@H](C[C@@H]1CCC(=O)[C@H]2[C@@H]1O2)C(=O)O)N
Synonyms
- Tetaine
- Antibiotic km-208
- N-L-Alanyl-3-(5-oxo-7-oxabicyclo(4.1.0)hept-2-yl)-L-alanine
- Alanyl(2,3-epoxycyclohexanone-4)alanine
- L-alanyl-3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]-L-alanine
- Ala-(2,3-epoxycyclohexanone-4)-Ala
- L-alanyl-3-((1R,2S,6R)-5-oxo-7-oxabicyclo(4.1.0)hept-2-yl)-L-alanine
- L-alanyl-3-((1R,2R,6R)-5-oxo-7-oxabicyclo(4.1.0)hept-2-yl)-L-alanine
- (2S)-2-(((2S)-2-aminopropanoyl)amino)-3-((1R,2S,6R)-5-oxo-7-oxabicyclo(4.1.0)heptan-2-yl)propanoic acid
- (2S)-2-(((2S)-2-azaniumylpropanoyl)amino)-3-((1R,2S,6R)-5-oxo-7-oxabicyclo(4.1.0)heptan-2-yl)propanoate
- (2S)-2-(((2S)-2-aminopropanoyl)amino)-3-((1R,2R,6R)-5-oxo-7-oxabicyclo(4.1.0)heptan-2-yl)propanoic acid
- Bacillin
- Antibiotic KM 208
- L-Alanine, L-alanyl-3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]-
- L-Alanine, L-alanyl-3-((1R,2S,6R)-5-oxo-7-oxabicyclo(4.1.0)hept-2-yl)-
- alpha-((2-Amino-1-oxopropyl)amino)-5-oxo-7-oxabicyclo(4.1.0)heptane-2-propanoic acid
- alpha-(2-Aminopropionamido)-5-oxo-7-oxabicyclo(4.1.0)heptane-2-propionic acid
- 7-Oxabicyclo(4.1.0)heptane-2-propionic acid, alpha-(2-aminopropionamido)-5-oxo-, stereoisomer
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 270.29 g/molcalc.Computed value |
|---|---|
| Exact mass | 270.1216 Dacalc.Computed value |
| LogP (octanol/water) | -0.96calc.Computed value |
| Topological polar surface area | 122 Ųcalc.Computed value |
| Hydrogen bond donors | 3calc.Computed value |
| Hydrogen bond acceptors | 5calc.Computed value |
| Rotatable bonds | 5calc.Computed value |
| Heavy atoms | 19calc.Computed value |
| Rings | 2calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.75calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 5calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
O=C1CCCC2OC12
2 rings, 8 atoms, the 7-Oxabicyclo[4.1.0]heptan-2-one ring system.
41 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Bacilysin suppliers
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Bacilysin price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Roles
- metabolite
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Bacilysin is traded under.
Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other
- China32.3%
- Switzerland * partner reported13.6%
- Norway * partner reported12.8%
- United States15.9%
- Ireland15.8%
- Germany11.9%
* Partner reported figures, a lower bound.
The HS code shown for Bacilysin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Bacilysin, based on the data on this page
What is Bacilysin?
What is the CAS number of Bacilysin?
What is the molecular formula and weight of Bacilysin?
What is Bacilysin used for?
Is Bacilysin hazardous?
What is the HS code of Bacilysin?
Where can I buy Bacilysin?
What is the price of Bacilysin?
Guides for buyers
Practical guides that help when you source, ship or handle Bacilysin
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
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