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Home> Hot Product Listed L   > L-Tryptophan,N-[6-amino-2-[2-(2-carboxyphenyl)-2,3-dihydro-2-hydroxy-3-oxo-4-phenyl-1H-pyrrol-1-yl]-...
950455-15-9 structure

L-Tryptophan,N-[6-amino-2-[2-(2-carboxyphenyl)-2,3-dihydro-2-hydroxy-3-oxo-4-phenyl-1H-pyrrol-1-yl]-1-oxohexyl]-

Iupac Name:N-[(3-chlorophenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-amine
CAS No.:950455-15-9
Molecular Weight:340.855
Molecular Formula:C3H4OSE (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C19H21ClN4/c20-15-5-3-4-14(12-15)13-22-18-19(8-10-21-11-9-19)24-17-7-2-1-6-16(17)23-18/h1-7,12,21,24H,8-11,13H2,(H,22,23)
InChkey
YAFQFNOUYXZVPZ-UHFFFAOYSA-N
Canonical Smiles
C1CNCCC12C(=NC3=CC=CC=C3N2)NCC4=CC(=CC=C4)Cl
Computational chemical data
  • Molecular Weight:340.855g/mol
  • Molecular Formula:C3H4OSE
  • Compound Is Canonicalized:True
  • Exact Mass:340.145
  • Monoisotopic Mass:340.145
  • Complexity:460
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:48.4A^2
  • Heavy Atom Count:24
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7gAAEAAAAAAAAAAAAAAAAAAAAAAA8YIEAAAAAAACBQAAAHAIQAAAADIrBGCQxwILAAACg AiZiZACCAAEhBwAJiIAodogIYCLB25GUIAhgkADIyAcQgAAOAAAAIAAAACAAAABAAAAAQAAAAAAA AA==
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