Suc-Ala-Ala-Ala-pNA - Moligand™,≥98% , CAS No.52299-14-6

CAS: 52299-14-6 Cat. No.: S357870 Molecular Weight: 451.44 PubChem CID: 5484223

GRADE & PURITY Moligand™, ≥98%

Synonyms

F87971 | SUCCINYL-L-ALANYL-L-ALANYL-L-ALANINE 4-NITROANILIDE | N-SUCCINYL-L-ALANYL-L-ALANYL-L-ALANINE P-NITROANILIDE | N-Suc-Ala-Ala-Ala-p-nitroanilide | succinyl-l-alanyl-l-alanyl-l-alanine p-nitroanilide | Trianiline-4-nitroanilide | 4-(((S)-1-(((S)-1-(

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Specifications

Synonyms

F87971 | SUCCINYL-L-ALANYL-L-ALANYL-L-ALANINE 4-NITROANILIDE | N-SUCCINYL-L-ALANYL-L-ALANYL-L-ALANINE P-NITROANILIDE | N-Suc-Ala-Ala-Ala-p-nitroanilide | succinyl-l-alanyl-l-alanyl-l-alanine p-nitroanilide | Trianiline-4-nitroanilide | 4-(((S)-1-(((S)-1-(

Specifications & Purity

Moligand™, ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504763874
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763874
• Canonical Smiles: CC(C(=O)NC(C)C(=O)NC(C)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CCC(=O)O
• IUPAC Name: 4-[[(2S)-1-[[(2S)-1-[[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
• InChIKey: GVUGADOWXGKRAE-SRVKXCTJSA-N
• INCHI: 1S/C19H25N5O8/c1-10(20-15(25)8-9-16(26)27)17(28)21-11(2)18(29)22-12(3)19(30)23-13-4-6-14(7-5-13)24(31)32/h4-7,10-12H,8-9H2,1-3H3,(H,20,25)(H,21,28)(H,22,29)(H,23,30)(H,26,27)/t10-,11-,12-/m0/s1
• 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-])NC(=O)CCC(=O)O
• PubChem CID: 5484223
• Molecular Weight: 451.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: N-acyl-alpha amino acids and derivatives Alpha amino acid amides Alanine and derivatives Anilides Nitrobenzenes Nitroaromatic compounds N-arylamides N-acyl amines Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxoazanium compounds Organopnictogen compounds Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-oligopeptide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Benzenoid - Fatty acyl - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 451.400 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 451.17 Da
• Monoisotopic Mass: 451.17 Da
• Topological Polar Surface Area: 200.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 730.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Ling Ma, Shu-Ling Yang, Wen-Qian Lian, Xin-Feng Wei, Kai Zhang, Rui-Ying Bao, Wei Yang.  (2025)  Encapsulation of Enzymes in Metal–Organic Frameworks with Dual Thermal Protection for Melt Processing of Self-Biodegradable Plastics.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.5c00584]