(S)-2-((S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-phenylpropanamido)-3-phenylpropanoic acid - ≥95% , CAS No.84889-09-8

CAS: 84889-09-8 Cat. No.: S195286 Molecular Weight: 534.60 EC Number: 874-928-7 PubChem CID: 11261141

GRADE & PURITY ≥95%

Synonyms

C33H30N2O5 | n-((9h-fluoren-9-ylmethoxy)carbonyl)-l-phenylalanyl-l-phenylalanine | (((9H-Fluoren-9-yl)methoxy)carbonyl)-L-phenylalanyl-L-phenylalanine | MFCD00237669 | AKOS016003549 | (S)-2-(((S)-2-(Fmoc)amino)-3-phenylpropanamido)-3-phenylpropanoic acid

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

C33H30N2O5 | n-((9h-fluoren-9-ylmethoxy)carbonyl)-l-phenylalanyl-l-phenylalanine | (((9H-Fluoren-9-yl)methoxy)carbonyl)-L-phenylalanyl-L-phenylalanine | MFCD00237669 | AKOS016003549 | (S)-2-(((S)-2-(Fmoc)amino)-3-phenylpropanamido)-3-phenylpropanoic acid

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

• Pubchem Sid: 504766221
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766221
• Canonical Smiles: C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
• IUPAC Name: (2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
• InChIKey: KZPTXQVSHOISSL-KYJUHHDHSA-N
• INCHI: 1S/C33H30N2O5/c36-31(34-30(32(37)38)20-23-13-5-2-6-14-23)29(19-22-11-3-1-4-12-22)35-33(39)40-21-28-26-17-9-7-15-24(26)25-16-8-10-18-27(25)28/h1-18,28-30H,19-21H2,(H,34,36)(H,35,39)(H,37,38)/t29-,30-/m0/s1
• Isomeric SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
• PubChem CID: 11261141
• Molecular Weight: 534.60

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 N-acyl-L-alpha-amino acids Fluorenes Alpha amino acid amides Phenylpropanoic acids Amphetamines and derivatives Fatty amides Carbamate esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Alpha-dipeptide - Phenylalanine or derivatives - N-acyl-l-alpha-amino acid - Fluorene - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - 3-phenylpropanoic-acid - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Fatty amide - Carbamic acid ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Aromatic homopolycyclic 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

• Molecular Weight: 534.600 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 534.215 Da
• Monoisotopic Mass: 534.215 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 830.000
• 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