D-Lys(Z)-Pro-Arg-pNA (diacetate) - ≥99% , CAS No.108963-70-8

CAS: 108963-70-8 Cat. No.: D1243771 Molecular Weight: 773.8

GRADE & PURITY ≥99%

Storage

Protected from light,Desiccated,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Specifications & Purity

≥99%

Storage

Protected from light, Desiccated, Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC(=O)O.CC(=O)O.C1C[C@H](N(C1)C(=O)[C@@H](CCCCNC(=O)OCC2=CC=CC=C2)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
• IUPAC Name: acetic acid;benzyl N-[(5R)-5-amino-6-[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-6-oxohexyl]carbamate
• InChIKey: VMCWZMKBOZNVHX-ANSAKZOLSA-N
• INCHI: 1S/C31H43N9O7.2C2H4O2/c32-24(10-4-5-17-36-31(44)47-20-21-8-2-1-3-9-21)29(43)39-19-7-12-26(39)28(42)38-25(11-6-18-35-30(33)34)27(41)37-22-13-15-23(16-14-22)40(45)46;2*1-2(3)4/h1-3,8-9,13-16,24-26H,4-7,10-12,17-20,32H2,(H,36,44)(H,37,41)(H,38,42)(H4,33,34,35);2*1H3,(H,3,4)/t24-,25+,26+;;/m1../s1
• Molecular Weight: 773.8

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: Proline and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Benzyloxycarbonyls Anilides Nitrobenzenes Pyrrolidinecarboxamides Nitroaromatic compounds N-arylamides N-acylpyrrolidines Fatty amides Tertiary carboxylic acid amides Carbamate esters Secondary carboxylic acid amides Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carboxylic acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Monoalkylamines Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Alpha-oligopeptide - Proline or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Nitrobenzene - Anilide - N-arylamide - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - Nitroaromatic compound - N-acylpyrrolidine - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Fatty amide - Tertiary carboxylic acid amide - Carbamic acid ester - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Guanidine - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Carboximidamide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxoazanium - Primary aliphatic amine - Organopnictogen compound - Organic zwitterion - Organic oxygen compound - Organic oxide - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteromonocyclic 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

• Molecular Weight: 773.800 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 17
• Exact Mass: 773.371 Da
• Monoisotopic Mass: 773.371 Da
• Topological Polar Surface Area: 328.000 Ų
• Heavy Atom Count: 55
• Formal Charge: 0
• Complexity: 1100.000
• 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: 3

XLogP3