AAA-pNA
Also known as L-Alanyl-L-alanyl-N-(4-nitrophenyl)-L-alaninamide, (S)-2-Amino-N-((S)-1-(((S)-1-((4-nitrophenyl)amino)-1-oxopropan-2-yl)amino)-1-oxopropan-2-yl)propanamide
Key facts
What buyers check first
What is AAA-pNA?
Plain description, key identifiers and synonyms
AAA-pNA is a chemical substance with the molecular formula C15H21N5O5 and a molar mass of 351.36 g/mol. Its CAS registry number is 60354-61-2. The IUPAC name is (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
- CAS number
- 60354-61-2 CAS number cross-checked
- Molecular formula
- C15H21N5O5
- InChIKey
- PNLFGUZFZPZVIB-GUBZILKMSA-N
- InChI
- InChI=1S/C15H21N5O5/c1-8(16)13(21)17-9(2)14(22)18-10(3)15(23)19-11-4-6-12(7-5-11)20(24)25/h4-10H,16H2,1-3H3,(H,17,21)(H,18,22)(H,19,23)/t8-,9-,10-/m0/s1
- Canonical SMILES
- CC(N)C(=O)NC(C)C(=O)NC(C)C(=O)Nc1ccc([N+](=O)[O-])cc1
- Isomeric SMILES
- C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N
Synonyms
- L-Alanyl-L-alanyl-N-(4-nitrophenyl)-L-alaninamide
- (S)-2-Amino-N-((S)-1-(((S)-1-((4-nitrophenyl)amino)-1-oxopropan-2-yl)amino)-1-oxopropan-2-yl)propanamide
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 | 351.36 g/molcalc.Computed value |
|---|---|
| Exact mass | 351.1543 Dacalc.Computed value |
| LogP (octanol/water) | -0.11calc.Computed value |
| Topological polar surface area | 156.5 Ųcalc.Computed value |
| Hydrogen bond donors | 4calc.Computed value |
| Hydrogen bond acceptors | 6calc.Computed value |
| Rotatable bonds | 7calc.Computed value |
| Heavy atoms | 25calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.4calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 3calc.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
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.
AAA-pNA suppliers
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Post one free request and suppliers who make or trade AAA-pNA can send you quotes. Your contact details stay private until you accept a quote.
AAA-pNA 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
Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.
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 AAA-pNA 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 AAA-pNA is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Salt and hydrate forms
Records that share this compound as their parent
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
![2-Acetamido-N-[1-[[1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide chemical structure, C17H23N5O6](/s/UTKPSBYTTSNKKN-UHFFFAOYSA-N.svg)
Same formula isomers
Different compounds that share this molecular formula
![Methyl [1,3-dimethyl-8-(morpholin-4-ylmethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate chemical structure, C15H21N5O5, CAS 841206-57-3](/s/DFVODWHOFQDUHM-UHFFFAOYSA-N.svg)
![(2R,3R,4S,5R)-2-[6-((1R,2R)-2-Hydroxy-cyclopentylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol chemical structure, C15H21N5O5, CAS 124600-51-7](/s/GYWXTRVEUURNEW-QDYOZFCWSA-N.svg)
![Ethyl 2-[3-methyl-8-(morpholin-4-ylmethyl)-2,6-dioxopurin-7-yl]acetate chemical structure, C15H21N5O5, CAS 847409-40-9](/s/QUVXKQVXHNZRKE-UHFFFAOYSA-N.svg)
![2-(Hydroxymethyl)-5-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]purin-9-yl]oxolane-3,4-diol chemical structure, C15H21N5O5](/s/GOSWTRUMMSCNCW-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about AAA-pNA, based on the data on this page
What is AAA-pNA?
What is the CAS number of AAA-pNA?
What is the molecular formula and weight of AAA-pNA?
Is AAA-pNA hazardous?
What is the HS code of AAA-pNA?
Where can I buy AAA-pNA?
What is the price of AAA-pNA?
Guides for buyers
Practical guides that help when you source, ship or handle AAA-pNA
- 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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