Fmoc-Asn(Trt)-Thr(psi Me,Mepro)-OH - ≥98% , CAS No.957780-59-5

CAS: 957780-59-5 Cat. No.: F337139 Molecular Weight: 737.8 PubChem CID: 75534981

GRADE & PURITY ≥98%

Synonyms

(4S,5R)-3-(N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-beta-trityl-L-asparaginyl)-2,2,5-trimethyloxazolidine-4-carboxylic acid | AS-83676 | A901444 | Fmoc-Asn(Trt)-Thr(Psime,Mepro)-OH | MFCD08064322 | AKOS025289510 | (4S,5R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

(4S, 5R)-3-(N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-beta-trityl-L-asparaginyl)-2, 2, 5-trimethyloxazolidine-4-carboxylic acid | AS-83676 | A901444 | Fmoc-Asn(Trt)-Thr(Psime, Mepro)-OH | MFCD08064322 | AKOS025289510 | (4S, 5R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxy

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488202364
• Canonical Smiles: CC1C(N(C(O1)(C)C)C(=O)C(CC(=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57)C(=O)O
• IUPAC Name: (4S,5R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
• InChIKey: ANJHPIXXMBAZHL-CRSWUFPKSA-N
• INCHI: 1S/C45H43N3O7/c1-29-40(42(51)52)48(44(2,3)55-29)41(50)38(46-43(53)54-28-37-35-25-15-13-23-33(35)34-24-14-16-26-36(34)37)27-39(49)47-45(30-17-7-4-8-18-30,31-19-9-5-10-20-31)32-21-11-6-12-22-32/h4-26,29,37-38,40H,27-28H2,1-3H3,(H,46,53)(H,47,49)(H,51,52)/t29-,38+,40+/m1/s1
• Isomeric SMILES: C[C@@H]1[C@H](N(C(O1)(C)C)C(=O)[C@H](CC(=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57)C(=O)O
• PubChem CID: 75534981
• Molecular Weight: 737.8

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 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: Asparagine and derivatives N-acyl-L-alpha-amino acids Fluorenes Alpha amino acid amides N-acyl amines Benzene and substituted derivatives Tertiary carboxylic acid amides Oxazolidines Carbamate esters Organic carbonic acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-dipeptide - Asparagine or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Fluorene - Alpha-amino acid amide - Alpha-amino acid or derivatives - Fatty acyl - Benzenoid - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Carbamic acid ester - Tertiary carboxylic acid amide - Oxazolidine - Carbonic acid derivative - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic 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: 737.800 g/mol
• XLogP3: 6.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 737.31 Da
• Monoisotopic Mass: 737.31 Da
• Topological Polar Surface Area: 134.000 Ų
• Heavy Atom Count: 55
• Formal Charge: 0
• Complexity: 1280.000
• 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