(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 Molecular Weight: 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

Overview

Sequence Shortening：Boc-GGFG

Specifications

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

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

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).

Storage

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

Shipped In

Ice chest + Ice pads

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

Purity

≥97%

Images

Boc-Gly-Gly-Phe-Gly-OH

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)O
• Molecular Weight: 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
    • 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: 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
• 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

• Solubility: Solubility (25°C) In vitro Ethanol: mg/mL
• Sensitivity: Moisture sensitive
• Molecular Weight: 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