Z-Glu-Phe-OH - ≥97% , CAS No.987-84-8

CAS: 987-84-8 Cat. No.: Z346700 Molecular Weight: 428.44 PubChem CID: 14333283

GRADE & PURITY ≥97%

Synonyms

(S)-4-(benzyloxycarbonylamino)-5-((S)-1-carboxy-2-phenylethylamino)-5-oxopentanoic acid | s12378 | Carbobenzoxy-L-glu tamyl-L-phenylalanin | (4S)-5-[[(1S)-1-carboxy-2-phenylethyl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid | L-Phenylalanine,

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

(S)-4-(benzyloxycarbonylamino)-5-((S)-1-carboxy-2-phenylethylamino)-5-oxopentanoic acid | s12378 | Carbobenzoxy-L-glu tamyl-L-phenylalanin | (4S)-5-[[(1S)-1-carboxy-2-phenylethyl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid | L-Phenylalanine,

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504767613
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767613
• Canonical Smiles: C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)OCC2=CC=CC=C2
• IUPAC Name: (4S)-5-[[(1S)-1-carboxy-2-phenylethyl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
• InChIKey: ZORDBMVWKMEZAC-ROUUACIJSA-N
• INCHI: 1S/C22H24N2O7/c25-19(26)12-11-17(24-22(30)31-14-16-9-5-2-6-10-16)20(27)23-18(21(28)29)13-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2,(H,23,27)(H,24,30)(H,25,26)(H,28,29)/t17-,18-/m0/s1
• Isomeric SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)OCC2=CC=CC=C2
• PubChem CID: 14333283
• Molecular Weight: 428.44

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 Dipeptides

• 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: Dipeptides
• Alternative Parents: Phenylalanine and derivatives Glutamic acid and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Phenylpropanoic acids Amphetamines and derivatives Benzyloxycarbonyls N-acyl amines Dicarboxylic acids and derivatives Carbamate esters Secondary carboxylic acid amides Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-dipeptide - Phenylalanine or derivatives - Glutamic acid or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - 3-phenylpropanoic-acid - Amphetamine or derivatives - Benzyloxycarbonyl - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Monocyclic benzene moiety - N-acyl-amine - Fatty amide - Carbamic acid ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• 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

• Melt Point(°C): 160-163° C
• Molecular Weight: 428.400 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 428.158 Da
• Monoisotopic Mass: 428.158 Da
• Topological Polar Surface Area: 142.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 613.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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