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Heterocyclic building blocks

Syringolin A

Also known as syringolin-A, 2-((1-(((3E,9Z)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl)amino)-3-methyl-1-oxobutan-2-yl)carbamoylamino)-3-methylbutanoic acid, (2s)-2-[[(2s)-1-[[(5s,8s,9e)-2,7-Dioxo-5-Propan-2-Yl-1,6-Diazacyclododeca-3,9-Dien-8-Yl]amino]-3-Methyl-1-Oxo-Butan-2-Yl]carbamoylamino]-3-Methyl-Butanoic Acid

CAS 212115-96-3Formula C24H39N5O6Molar mass 493.61 g/mol
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Syringolin A chemical structure, C24H39N5O6, CAS 212115-96-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
212115-96-3
Formula
C24H39N5O6
Molar mass
493.61 g/mol
HS code
293379
Category
Heterocyclic building blocks

What is Syringolin A?

Plain description, key identifiers and synonyms

Syringolin A is a syrbactin that has a (3E,9E)-2,7-dioxo-1,6-diazacyclododeca-3,9-diene skeleton that is substituted by an isopropyl group at position 5 and by a [(2S)-2-({[(1S)-1-carboxy-2-methylpropyl]carbamoyl}amino)-3-methylbutanoyl]nitrilo group at the 8-pro-S position. It is produced by the pathogenic bacterium Pseudomonas syringae pv. syringae. It has a role as a bacterial metabolite. It is a homodetic cyclic peptide, a monocarboxylic acid, a member of ureas and a syrbactin.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-[[(2S)-1-[[(3E,5S,8S,9E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3-methylbutanoic acid
CAS number
212115-96-3
Molecular formula
C24H39N5O6
InChIKey
RUWSLQOIGKYPEZ-YPXRAQKDSA-N
InChI
InChI=1S/C24H39N5O6/c1-13(2)16-10-11-18(30)25-12-8-7-9-17(21(31)26-16)27-22(32)19(14(3)4)28-24(35)29-20(15(5)6)23(33)34/h7,9-11,13-17,19-20H,8,12H2,1-6H3,(H,25,30)(H,26,31)(H,27,32)(H,33,34)(H2,28,29,35)/b9-7+,11-10+/t16-,17+,19+,20+/m1/s1
Canonical SMILES
CC(C)C1C=CC(=O)NCCC=CC(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C(C)C)C(=O)N1
Isomeric SMILES
CC(C)[C@H]1/C=C/C(=O)NCC/C=C/[C@@H](C(=O)N1)NC(=O)[C@H](C(C)C)NC(=O)N[C@@H](C(C)C)C(=O)O

Synonyms

  • syringolin-A
  • 2-((1-(((3E,9Z)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl)amino)-3-methyl-1-oxobutan-2-yl)carbamoylamino)-3-methylbutanoic acid
  • (2s)-2-[[(2s)-1-[[(5s,8s,9e)-2,7-Dioxo-5-Propan-2-Yl-1,6-Diazacyclododeca-3,9-Dien-8-Yl]amino]-3-Methyl-1-Oxo-Butan-2-Yl]carbamoylamino]-3-Methyl-Butanoic Acid
  • (2S)-2-({[(2S)-1-{[(3E,5S,8S,9E)-5-isopropyl-2,7-dioxo-1,6-diazacyclododeca-3,9-dien-8-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)-3-methylbutanoic acid
  • N-{[(1S)-2-methyl-1-{[(3E,5S,8S,9E)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododeca-3,9-dien-8-yl]carbamoyl}propyl]carbamoyl}-L-valine
  • N-{[(2S)-1-{[(3E,5S,8S,9E)-2,7-Dioxo-5-(propan-2-yl)-1,6-diazacyclododeca-3,9-dien-8-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamoyl}-L-valine

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
493.61 g/molcalc.
Exact mass
493.29 Dacalc.
LogP (octanol/water)
0.68calc.
Topological polar surface area
165.7 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
8calc.
Heavy atoms
35calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.63calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1C=CCNC(=O)CC=CCCN1

O=C1C=CCNC(=O)CC=CCCN1

1 ring, 14 atoms.

4 other chemicals share this scaffold

Safety 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.

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Syringolin A price

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Uses and applications

What the substance is used for, by industry and function

Roles

  • bacterial metabolite
  • metabolite
  • prokaryotic 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 Syringolin A is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Syringolin A is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Syringolin A, based on the data on this page

What is Syringolin A?

Syringolin A is a syrbactin that has a (3E,9E)-2,7-dioxo-1,6-diazacyclododeca-3,9-diene skeleton that is substituted by an isopropyl group at position 5 and by a [(2S)-2-({[(1S)-1-carboxy-2-methylpropyl]carbamoyl}amino)-3-methylbutanoyl]nitrilo group at the 8-pro-S position.

What is the CAS number of Syringolin A?

The CAS registry number of Syringolin A is 212115-96-3.

What is the molecular formula and weight of Syringolin A?

The molecular formula of Syringolin A is C24H39N5O6 and its molar mass is 493.61 g/mol.

What is Syringolin A used for?

Known uses and roles of Syringolin A include building blocks in research and laboratory, bacterial metabolite, metabolite and prokaryotic metabolite.

Is Syringolin A hazardous?

No GHS hazard classification for Syringolin A is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Syringolin A?

Syringolin A is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Syringolin A?

Post a free request on CompoundList and suppliers of Syringolin A will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Syringolin A?

Suppliers quote Syringolin A on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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