chlorocardicin - Moligand™ , CAS No.95927-71-2

CAS: 95927-71-2 Cat. No.: C608532 PubChem CID: 9577949

GRADE & PURITY Moligand™

Synonyms

1-Azetidineacetic acid, 3-(((4-(3-amino-3-carboxypropoxy)phenyl)(hydroxyimino)acetyl)amino)-alpha-(3-chloro-4-hydroxyphenyl)-2-oxo-, (3S-(1(S*),3R*(Z(S*))))- | CID 9577949 | (2R)-2-amino-4-[4-[(E)-C-[[(3S)-1-[(R)-carboxy-(3-chloro-4-hydroxyphenyl)methyl]-

Storage

Room temperature

Specifications

Synonyms

1-Azetidineacetic acid, 3-(((4-(3-amino-3-carboxypropoxy)phenyl)(hydroxyimino)acetyl)amino)-alpha-(3-chloro-4-hydroxyphenyl)-2-oxo-, (3S-(1(S*),3R*(Z(S*))))- | CID 9577949 | (2R)-2-amino-4-[4-[(E)-C-[[(3S)-1-[(R)-carboxy-(3-chloro-4-hydroxyphenyl)methyl]-

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Names and Identifiers

• Canonical Smiles: O/N=C(\c1ccc(cc1)OCC[C@H](C(=O)O)N)/C(=O)N[C@H]1CN(C1=O)[C@H](c1ccc(c(c1)Cl)O)C(=O)O
• IUPAC Name: (2R)-2-amino-4-[4-[(E)-C-[[(3S)-1-[(R)-carboxy-(3-chloro-4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]carbamoyl]-N-hydroxycarbonimidoyl]phenoxy]butanoic acid
• InChIKey: UMDAIHWMUXNVSB-IMUCLJOZSA-N
• INCHI: 1S/C23H23ClN4O9/c24-14-9-12(3-6-17(14)29)19(23(34)35)28-10-16(21(28)31)26-20(30)18(27-36)11-1-4-13(5-2-11)37-8-7-15(25)22(32)33/h1-6,9,15-16,19,29,36H,7-8,10,25H2,(H,26,30)(H,32,33)(H,34,35)/b27-18+/t15-,16+,19-/m1/s1
• Isomeric SMILES: C1[C@@H](C(=O)N1[C@H](C2=CC(=C(C=C2)O)Cl)C(=O)O)NC(=O)/C(=N/O)/C3=CC=C(C=C3)OCC[C@H](C(=O)O)N
• PubChem CID: 9577949

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: Monobactams N-acyl-alpha amino acids and derivatives D-alpha-amino acids Phenylacetamides Phenol ethers O-chlorophenols Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Chlorobenzenes Aryl chlorides Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Ketoximes Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organochlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-dipeptide - Monobactam - N-acyl-alpha amino acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Phenylacetamide - D-alpha-amino acid - Phenoxy compound - 2-halophenol - 2-chlorophenol - Phenol ether - Chlorobenzene - Halobenzene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Dicarboxylic acid or derivatives - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Beta-lactam - Ketoxime - Amino acid - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azetidine - Amino acid or derivatives - Ether - Organoheterocyclic compound - Azacycle - Carboxylic acid - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Primary aliphatic amine - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Primary amine - Organic oxide - Aromatic heteromonocyclic 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

Frequently Asked Questions

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 95927-71-2. InChIKey UMDAIHWMUXNVSB-IMUCLJOZSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.