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Aliphatic and alicyclic building blocks

EP 459

Also known as E 64a, E-64a, Oxiranecarboxylic acid, 3-(((1-(((4-aminobutyl)amino)carbonyl)-3-methylbutyl)amino)carbonyl)-, (2S-(2alpha,3beta(R*)))-

CAS 76739-51-0Formula C14H25N3O5Molar mass 315.37 g/mol
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EP 459 chemical structure, C14H25N3O5, CAS 76739-51-0
2D chemical structure

Key facts

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All properties
CAS number
76739-51-0
Formula
C14H25N3O5
Molar mass
315.37 g/mol
HS code
292429
Category
Aliphatic and alicyclic building blocks

What is EP 459?

Plain description, key identifiers and synonyms

EP 459 is a chemical substance with the molecular formula C14H25N3O5 and a molar mass of 315.37 g/mol. Its CAS registry number is 76739-51-0. The IUPAC name is (2S,3S)-3-[[(2S)-1-(4-aminobutylamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3S)-3-[[(2S)-1-(4-aminobutylamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
CAS number
76739-51-0 CAS number cross-checked
Molecular formula
C14H25N3O5
InChIKey
AVTVMICMSRMLMA-DCAQKATOSA-N
InChI
InChI=1S/C14H25N3O5/c1-8(2)7-9(12(18)16-6-4-3-5-15)17-13(19)10-11(22-10)14(20)21/h8-11H,3-7,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)/t9-,10-,11-/m0/s1
Canonical SMILES
CC(C)CC(NC(=O)C1OC1C(=O)O)C(=O)NCCCCN
Isomeric SMILES
CC(C)C[C@@H](C(=O)NCCCCN)NC(=O)[C@@H]1[C@H](O1)C(=O)O

Synonyms

  • E 64a
  • E-64a
  • Oxiranecarboxylic acid, 3-(((1-(((4-aminobutyl)amino)carbonyl)-3-methylbutyl)amino)carbonyl)-, (2S-(2alpha,3beta(R*)))-
  • (2S,3S)-3-[[(2S)-1-(4-aminobutylamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
  • (2S,3S)-3-({(2S)-1-[(4-Aminobutyl)amino]-4-methyl-1-oxopentan-2-yl}carbamoyl)oxirane-2-carboxylic acid

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
315.37 g/molcalc.
Exact mass
315.1794 Dacalc.
LogP (octanol/water)
-0.78calc.
Topological polar surface area
134.1 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
10calc.
Heavy atoms
22calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.79calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Passes (0 violations)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, C1CO1

C1CO1

1 ring, 3 atoms, the Ethylene oxide ring system.

3,057 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.

EP 459 suppliers

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EP 459 price

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Uses and applications

What the substance is used for, by industry and function

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 EP 459 is traded under.

HS 2924.29Indicative HS code

Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other

World exports in 2024
$5.69B
−5.1% vs 2023, imports $5.8B
2019 to 2024
Top exporters
  1. China32.3%
  2. Switzerland * partner reported13.6%
  3. Norway * partner reported12.8%
Top importers
  1. United States15.9%
  2. Ireland15.8%
  3. Germany11.9%

* Partner reported figures, a lower bound.

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

The HS code shown for EP 459 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Guides for buyers

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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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