(S)-12-Benzyl-2,2-dimethyl-4,7,10,13-tetraoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-oic acid - ≥97% , CAS No.187794-49-6

CAS: 187794-49-6 Cat. No.: B412456 Peso molecular: 436.46

GRADE & PURITY ≥97%

Synonyms

(S)-12-Benzyl-2,2-dimethyl-4,7,10,13-tetraoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-oicacid | Glycine, N-[(1,1-dimethylethoxy)carbonyl]glycylglycyl-L-phenylalanyl- | (S)-12-Benzyl-2,2-dimethyl-4,7,10,13-tetraoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-oic aci

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Sequence Shortening：Boc-GGFG

Specifications

Sinónimos

(S)-12-Benzyl-2, 2-dimethyl-4, 7, 10, 13-tetraoxo-3-oxa-5, 8, 11, 14-tetraazahexadecan-16-oicacid | Glycine, N-[(1, 1-dimethylethoxy)carbonyl]glycylglycyl-L-phenylalanyl- | (S)-12-Benzyl-2, 2-dimethyl-4, 7, 10, 13-tetraoxo-3-oxa-5, 8, 11, 14-tetraazahexadecan-16-oic aci

Especificaciones y pureza

≥97%

Mecanismos bioquímicos y fisiológicos

Boc-Gly-Gly-Phe-Gly-OH (GGFG) is a self-assembly of N- and C-protected tetrapeptide, a protease cleavable linker used for the antibody-drug conjugates (ADCs).

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Imágenes

Boc-Gly-Gly-Phe-Gly-OH

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)O
• IUPAC Name: 2-[[(2S)-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetic acid
• InChIKey: PTUJJIPXBJJLLV-AWEZNQCLSA-N
• INCHI: 1S/C20H28N4O7/c1-20(2,3)31-19(30)23-10-15(25)21-11-16(26)24-14(18(29)22-12-17(27)28)9-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,21,25)(H,22,29)(H,23,30)(H,24,26)(H,27,28)/t14-/m0/s1
• Isómeros SMILES: CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)O
• Peso molecular: 436.46
• Reaxy-Rn: 39514842
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39514842&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Phenylalanine and derivatives N-acyl-alpha amino acids Alpha amino acid amides 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 homomonocyclic compounds
• Substituents: Alpha-oligopeptide - Phenylalanine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Carbamic acid ester - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro Ethanol: mg/mL
• Sensibilidad: Moisture sensitive
• Peso molecular: 436.500 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 436.196 Da
• Monoisotopic Mass: 436.196 Da
• Topological Polar Surface Area: 163.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 654.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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