nocardicin A - Moligand™ , CAS No.39391-39-4

CAS: 39391-39-4 Cat. No.: N612347 Summenformel: C₂₃H₂₄N₄O₉ Molekulargewicht: 500.46 PubChem CID: 6400657

GRADE & PURITY Moligand™

Synonyms

SCHEMBL1442259 | UNII-R76HLW7Z19 | O-{4-[(1Z)-2-{(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-ylamino}-N-hydroxy-2-oxoethanimidoyl]phenyl}-D-homoserine | AKOS040747216 | Nocardicin A | 1-AZETIDINEACETIC ACID, 3-(((2Z)-2-(4-((3R)-3-AMINO-3-C

Storage

Room temperature

Specifications

Synonyme

SCHEMBL1442259 | UNII-R76HLW7Z19 | O-{4-[(1Z)-2-{(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-ylamino}-N-hydroxy-2-oxoethanimidoyl]phenyl}-D-homoserine | AKOS040747216 | Nocardicin A | 1-AZETIDINEACETIC ACID, 3-(((2Z)-2-(4-((3R)-3-AMINO-3-C

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Namen und Kennungen

• Kanonisches Lächeln: C1C(C(=O)N1C(C2=CC=C(C=C2)O)C(=O)O)NC(=O)C(=NO)C3=CC=C(C=C3)OCCC(C(=O)O)N
• IUPAC Name: (2R)-2-amino-4-[4-[(Z)-C-[[(3S)-1-[(R)-carboxy-(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]carbamoyl]-N-hydroxycarbonimidoyl]phenoxy]butanoic acid
• InChIKey: CTNZOGJNVIFEBA-UPSUJEDGSA-N
• INCHI: 1S/C23H24N4O9/c24-16(22(31)32)9-10-36-15-7-3-12(4-8-15)18(26-35)20(29)25-17-11-27(21(17)30)19(23(33)34)13-1-5-14(28)6-2-13/h1-8,16-17,19,28,35H,9-11,24H2,(H,25,29)(H,31,32)(H,33,34)/b26-18-/t16-,17+,19-/m1/s1
• Isomere SMILES: C1[C@@H](C(=O)N1[C@H](C2=CC=C(C=C2)O)C(=O)O)NC(=O)/C(=N\O)/C3=CC=C(C=C3)OCC[C@H](C(=O)O)N
• PubChem CID: 6400657
• Molekulargewicht: 500.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Peptides
          • Ebene6 Dipeptides

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

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 500.500 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 11
• Exact Mass: 500.154 Da
• Monoisotopic Mass: 500.154 Da
• Topological Polar Surface Area: 212.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 851.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

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 39391-39-4, the molecular formula is C23H24N4O9, and the molecular weight is 500.46 g/mol. InChIKey CTNZOGJNVIFEBA-UPSUJEDGSA-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.