Succinylglycyl-prolyl-leucyl-glycyl-prolyl-4-methylcoumaryl-7-amide - ≥95% , CAS No.72698-36-3

CAS: 72698-36-3 Cat. No.: S996084 EC Number: 276-767-2 PubChem CID: 126302

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3CCCN3C(=O)CNC(=O)C(CC(C)C)NC(=O)C4CCCN4C(=O)CNC(=O)CCC(=O)O
• IUPAC Name: 4-[[2-[(2S)-2-[[(2S)-4-methyl-1-[[2-[(2S)-2-[(4-methyl-2-oxochromen-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-oxobutanoic acid
• InChIKey: RPHBOWQMQBFJME-SDHOMARFSA-N
• INCHI: 1S/C34H44N6O10/c1-19(2)14-23(38-34(49)25-7-5-13-40(25)28(42)17-35-27(41)10-11-30(44)45)32(47)36-18-29(43)39-12-4-6-24(39)33(48)37-21-8-9-22-20(3)15-31(46)50-26(22)16-21/h8-9,15-16,19,23-25H,4-7,10-14,17-18H2,1-3H3,(H,35,41)(H,36,47)(H,37,48)(H,38,49)(H,44,45)/t23-,24-,25-/m0/s1
• Isomeric SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]4CCCN4C(=O)CNC(=O)CCC(=O)O
• Alternate CAS: 72698-36-3
• PubChem CID: 126302
• MeSH Entry Terms: (succinyl-Gly-Pro-Gly-Pro)-4-methylcoumaryl-7-amide;Suc-Gly-Pro-Leu-Pro-7-amido-4-methylcoumarin;Suc-GPLGP-AMC;Suc-GPLGP-MCA;succinylglycyl-prolyl-leucyl-glycyl-prolyl-4-methylcoumaryl-7-amide

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: Leucine and derivatives Proline and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Coumarins and derivatives 1-benzopyrans Pyrrolidinecarboxamides N-arylamides N-acylpyrrolidines Pyranones and derivatives N-acyl amines Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-oligopeptide - Leucine or derivatives - Proline or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Coumarin - 1-benzopyran - Benzopyran - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - N-arylamide - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - N-acylpyrrolidine - Pyranone - Fatty acyl - Benzenoid - Pyran - N-acyl-amine - Fatty amide - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrolidine - Secondary carboxylic acid amide - Lactone - 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 - Carbonyl group - Aromatic heteropolycyclic 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

• Molecular Weight: 696.700 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 14
• Exact Mass: 696.312 Da
• Monoisotopic Mass: 696.312 Da
• Topological Polar Surface Area: 221.000 Ų
• Heavy Atom Count: 50
• Formal Charge: 0
• Complexity: 1380.000
• 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