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AC1Mqrfj

Also known as methyl (2R)-2-[((2S)-4-amino-2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoyl)amino]-3-phenylpropanoate, Methyl N~2~-[(benzyloxy)carbonyl]asparaginylphenylalaninate

CAS 4976-86-7Formula C22H25N3O6Molar mass 427.46 g/molEC 666-652-9
GHS signal word: Warning. Pictograms: Hazardous to the environment
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AC1Mqrfj chemical structure, C22H25N3O6, CAS 4976-86-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4976-86-7
Formula
C22H25N3O6
Molar mass
427.46 g/mol
EC number
666-652-9
HS code
292429
Category
Peptides

What is AC1Mqrfj?

Plain description, key identifiers and synonyms

AC1Mqrfj is a chemical substance with the molecular formula C22H25N3O6 and a molar mass of 427.46 g/mol. Its CAS registry number is 4976-86-7. The IUPAC name is methyl 2-[[4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenylpropanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 2-[[4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenylpropanoate
CAS number
4976-86-7 CAS number cross-checked
EC number
666-652-9
Molecular formula
C22H25N3O6
InChIKey
XHINWMJGDYTIFM-UHFFFAOYSA-N
InChI
InChI=1S/C22H25N3O6/c1-30-21(28)18(12-15-8-4-2-5-9-15)24-20(27)17(13-19(23)26)25-22(29)31-14-16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3,(H2,23,26)(H,24,27)(H,25,29)
SMILES (canonical and isomeric)
COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)OCC2=CC=CC=C2

Synonyms

  • methyl (2R)-2-[((2S)-4-amino-2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoyl)amino]-3-phenylpropanoate
  • Methyl N~2~-[(benzyloxy)carbonyl]asparaginylphenylalaninate

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
427.46 g/molcalc.
Exact mass
427.1743 Dacalc.
LogP (octanol/water)
1.06calc.
Topological polar surface area
136.8 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
10calc.
Heavy atoms
31calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.27calc.
Formal charge
0calc.
Stereocentres
2calc.
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, O=C(CNC(=O)OCc1ccccc1)NCCc1ccccc1

O=C(CNC(=O)OCc1ccccc1)NCCc1ccccc1

2 rings, 23 atoms.

98 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H400Very toxic to aquatic life.
Precautionary statements (3)
  • P273Avoid release to the environment.
  • P391Collect spillage.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

AC1Mqrfj suppliers

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AC1Mqrfj price

Indicative price range per kg from live supplier offers

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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 AC1Mqrfj 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 AC1Mqrfj is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about AC1Mqrfj, based on the data on this page

What is AC1Mqrfj?

AC1Mqrfj is a chemical substance with the molecular formula C22H25N3O6 and a molar mass of 427.46 g/mol. Its CAS registry number is 4976-86-7. The IUPAC name is methyl 2-[[4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenylpropanoate.

What is the CAS number of AC1Mqrfj?

The CAS registry number of AC1Mqrfj is 4976-86-7.

What is the molecular formula and weight of AC1Mqrfj?

The molecular formula of AC1Mqrfj is C22H25N3O6 and its molar mass is 427.46 g/mol.

What is AC1Mqrfj used for?

Known uses and roles of AC1Mqrfj include building blocks in research and laboratory.

Is AC1Mqrfj hazardous?

AC1Mqrfj carries the GHS signal word "Warning". Main hazards: very toxic to aquatic life. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of AC1Mqrfj?

AC1Mqrfj is usually classified under HS code 292429 (Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy AC1Mqrfj?

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What is the price of AC1Mqrfj?

Suppliers quote AC1Mqrfj on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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