N-(4-Nitrophenylsulfonyl)-D-alloisoleucine methyl ester

Base Information

• Chemical Name: N-(4-Nitrophenylsulfonyl)-D-alloisoleucine methyl ester
• CAS No.: 1186663-68-2
• Molecular Formula: C₁₃H₁₈N₂O₆S
• Molecular Weight: 330.362
• DSSTox Substance ID: DTXSID601195072
• Nikkaji Number: J2.745.664B

Synonyms:DTXSID601195072;N-(4-Nitrophenylsulfonyl)-D-alloisoleucine methyl ester;N-[(4-Nitrophenyl)sulfonyl]-D-alloisoleucine methyl ester;1186663-68-2

Chemical Property of N-(4-Nitrophenylsulfonyl)-D-alloisoleucine methyl ester

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 330.08855747
• Heavy Atom Count: 22
• Complexity: 488

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Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C(C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]
• Isomeric SMILES: CC[C@H](C)[C@H](C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

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