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Screening compounds

XV 459

Also known as hydrolyzed DMP 755, (2S)-2-(butoxycarbonylamino)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoic acid, L-Alanine, 3-(((3-(4-(aminoiminomethyl)phenyl)-4,5-dihydro-5-isoxazolyl)acetyl)amino)-N-(butoxycarbonyl)-, (R)-

CAS 170902-52-0Formula C20H27N5O6Molar mass 433.47 g/mol
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XV 459 chemical structure, C20H27N5O6, CAS 170902-52-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
170902-52-0
Formula
C20H27N5O6
Molar mass
433.47 g/mol
HS code
293499
Category
Screening compounds

What is XV 459?

Plain description, key identifiers and synonyms

XV 459 is a chemical substance with the molecular formula C20H27N5O6 and a molar mass of 433.47 g/mol. Its CAS registry number is 170902-52-0. The IUPAC name is (2S)-2-(butoxycarbonylamino)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-(butoxycarbonylamino)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoic acid
CAS number
170902-52-0 CAS number cross-checked
Molecular formula
C20H27N5O6
UNII
R96EWZ6KUZ
InChIKey
SRRJCHGGTPFZSS-ZBFHGGJFSA-N
InChI
InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16+/m1/s1
Canonical SMILES
CCCCOC(=O)NC(CNC(=O)CC1CC(c2ccc(C(=N)N)cc2)=NO1)C(=O)O
Isomeric SMILES
CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)C2=CC=C(C=C2)C(=N)N)C(=O)O

Synonyms

  • hydrolyzed DMP 755
  • (2S)-2-(butoxycarbonylamino)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoic acid
  • L-Alanine, 3-(((3-(4-(aminoiminomethyl)phenyl)-4,5-dihydro-5-isoxazolyl)acetyl)amino)-N-(butoxycarbonyl)-, (R)-
  • N-(butoxycarbonyl)-3-{2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamido}-L-alanine
  • (2S)-2-[(Butoxycarbonyl)amino]-3-{2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamido}propanoic acid
  • (S)-2-Butoxycarbonylamino-3-{2-[(R)-3-(4-carbamimidoyl-phenyl)-4,5-dihydro-isoxazol-5-yl]-acetylamino}-propionic acid, TFA
  • 3-[[2-[(5R)-3-[4-(Aminoiminomethyl)phenyl]-4,5-dihydro-5-isoxazolyl]acetyl]amino]-N-(butoxycarbonyl)-L-alanine
  • L-Alanine, 3-[[2-[(5R)-3-[4-(aminoiminomethyl)phenyl]-4,5-dihydro-5-isoxazolyl]acetyl]amino]-N-(butoxycarbonyl)-

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
433.47 g/molcalc.
Exact mass
433.1961 Dacalc.
LogP (octanol/water)
0.95calc.
Topological polar surface area
176.2 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
11calc.
Heavy atoms
31calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.45calc.
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, c1ccc(C2=NOCC2)cc1

c1ccc(C2=NOCC2)cc1

2 rings, 11 atoms, the Isoxazole, 4,5-dihydro-3-phenyl- ring system.

330 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.

XV 459 suppliers

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XV 459 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 XV 459 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about XV 459, based on the data on this page

What is XV 459?

XV 459 is a chemical substance with the molecular formula C20H27N5O6 and a molar mass of 433.47 g/mol. Its CAS registry number is 170902-52-0. The IUPAC name is (2S)-2-(butoxycarbonylamino)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoic acid.

What is the CAS number of XV 459?

The CAS registry number of XV 459 is 170902-52-0.

What is the molecular formula and weight of XV 459?

The molecular formula of XV 459 is C20H27N5O6 and its molar mass is 433.47 g/mol.

What is XV 459 used for?

Known uses and roles of XV 459 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is XV 459 hazardous?

No GHS hazard classification for XV 459 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 XV 459?

XV 459 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy XV 459?

Post a free request on CompoundList and suppliers of XV 459 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of XV 459?

Suppliers quote XV 459 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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