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Technology Process of Butanoic acid, L-2-amino-4-(4-amino-2,5-cyclohexadien-1-yl)-L-isoleucyl-

Butanoic acid, L-2-amino-4-(4-amino-2,5-cyclohexadien-1-yl)-L-isoleucyl-

Base Information
  • Chemical Name:Butanoic acid, L-2-amino-4-(4-amino-2,5-cyclohexadien-1-yl)-L-isoleucyl-
  • CAS No.:96717-73-6
  • Molecular Formula:C16H27N3O3
  • Molecular Weight:309.409
  • Hs Code.:
  • DSSTox Substance ID:DTXSID20242405
  • Nikkaji Number:J122.659B
  • Mol file:96717-73-6.mol
Butanoic acid, L-2-amino-4-(4-amino-2,5-cyclohexadien-1-yl)-L-isoleucyl-

Synonyms:BRN 5599738;Butanoic acid, L-2-amino-4-(4-amino-2,5-cyclohexadien-1-yl)-L-isoleucyl-;96717-73-6;L-2-Amino-4-(4-amino-2,5-cyclohexadien-1-yl)-L-isoleucylbutanoic acid;Butanoic acid, L-isoleucyl-gamma-(4-amino-2,5-cyclohexadien-1-yl)-L-alpha-amino-;Isoleucylamiclenomycin;DTXSID20242405;LS-46076

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Chemical Property of Butanoic acid, L-2-amino-4-(4-amino-2,5-cyclohexadien-1-yl)-L-isoleucyl-
Chemical Property:
  • Vapor Pressure:6.33E-13mmHg at 25°C 
  • Boiling Point:536.2°C at 760 mmHg 
  • Flash Point:278.1°C 
  • PSA：121.93000 
  • Density:1.122g/cm3 
  • LogP:3.01980 
  • XLogP3:-1.2
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:5
  • Rotatable Bond Count:8
  • Exact Mass:309.20524173
  • Heavy Atom Count:22
  • Complexity:434
Purity/Quality:
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CCC(C)C(C(=O)NC(CCC1C=CC(C=C1)N)C(=O)O)N
  • Isomeric SMILES:CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC1C=CC(C=C1)N)C(=O)O)N
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