Butanoic acid, 3-((2-naphthalenylsulfonyl)amino)-4-oxo-4-((2-phenylethyl)amino)-, (S)-

Base Information

• Chemical Name: Butanoic acid, 3-((2-naphthalenylsulfonyl)amino)-4-oxo-4-((2-phenylethyl)amino)-, (S)-
• CAS No.: 141577-40-4
• Molecular Formula: C22H22 N2 O5 S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID30931131
• Wikidata: Q82906672
• ChEMBL ID: CHEMBL288641
• Mol file: 141577-40-4.mol

Synonyms:2-NAP;N-(2-naphthalenesulfonyl)aspartyl-(2-phenethyl)amide

Chemical Property of Butanoic acid, 3-((2-naphthalenylsulfonyl)amino)-4-oxo-4-((2-phenylethyl)amino)-, (S)-

Chemical Property:

• PSA: 124.44000
• LogP: 4.63230
• XLogP3: 3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 426.12494298
• Heavy Atom Count: 30
• Complexity: 684

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCNC(=O)C(CC(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2
• Isomeric SMILES: C1=CC=C(C=C1)CCNC(=O)[C@H](CC(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2
• Uses: 2-NAP is a CCK2 receptor.

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