Fmoc-(3S)-3-1-carboxymethyl-2-valerolactame - ≥95% , CAS No.215190-25-3

CAS: 215190-25-3 Cat. No.: F338584 Molecular Weight: 394.42

GRADE & PURITY ≥95%

Synonyms

[(3S)-3-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-2-oxopiperidin-1-yl]acetic acid | (3S)-Fmoc-3-amino-1-cabroxymethyl-2-valerolactam | 2-[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopiperidin-1-yl]acetic acid | E70630 | Fmoc-(3S)-3-1-carboxymethyl

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

[(3S)-3-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-2-oxopiperidin-1-yl]acetic acid | (3S)-Fmoc-3-amino-1-cabroxymethyl-2-valerolactam | 2-[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopiperidin-1-yl]acetic acid | E70630 | Fmoc-(3S)-3-1-carboxymethyl

Specifications & Purity

≥95%

Storage

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

≥95%

Names and Identifiers

• Pubchem Sid: 504761464
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761464
• Canonical Smiles: C1CC(C(=O)N(C1)CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• IUPAC Name: 2-[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopiperidin-1-yl]acetic acid
• InChIKey: WGBORFZFCVWACO-IBGZPJMESA-N
• INCHI: 1S/C22H22N2O5/c25-20(26)12-24-11-5-10-19(21(24)27)23-22(28)29-13-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,18-19H,5,10-13H2,(H,23,28)(H,25,26)/t19-/m0/s1
• Isomeric SMILES: C1C[C@@H](C(=O)N(C1)CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• Molecular Weight: 394.42
• Reaxy-Rn: 9809042
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9809042&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 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: Fluorenes Alpha amino acids and derivatives Piperidinones Delta lactams Tertiary carboxylic acid amides Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-dipeptide - Fluorene - Alpha-amino acid or derivatives - Delta-lactam - Piperidinone - Piperidine - Benzenoid - Carbamic acid ester - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Carbonic acid derivative - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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

Chemical and Physical Properties

• Molecular Weight: 394.400 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 394.153 Da
• Monoisotopic Mass: 394.153 Da
• Topological Polar Surface Area: 95.900 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 617.000
• 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