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Home> Hot Product Listed S   > Sporaviridin
187884-92-0 structure

Sporaviridin

Iupac Name:(2S)-2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-4-methylpentanoic acid
CAS No.:187884-92-0
Molecular Weight:288.391
Molecular Formula:C19H17N2NAO8S (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C17H24N2O2/c1-11(2)9-14(16(20)21)18-15-13-8-6-5-7-12(13)10-17(3,4)19-15/h5-8,11,14H,9-10H2,1-4H3,(H,18,19)(H,20,21)/t14-/m0/s1
InChkey
CFSVWPQERLQYDF-AWEZNQCLSA-N
Canonical Smiles
CC(C)CC(C(=O)O)NC1=NC(CC2=CC=CC=C21)(C)C
Isomers Smiles
CC[C@H](C)[C@@H](C(=O)O)NC1=NC(CC2=CC=CC=C21)(C)C
Properties
Boiling Point
°Cat760mmHg
Vapour
9.95E-10mmHg at 25°C
Refractive Index
1.567
Flash Point
110.5°C
Computational chemical data
  • Molecular Weight:288.391g/mol
  • Molecular Formula:C19H17N2NAO8S
  • Compound Is Canonicalized:True
  • Exact Mass:288.184
  • Monoisotopic Mass:288.184
  • Complexity:415
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:61.7A^2
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:1
  • 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: AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHgAQCAAADajBmAQzCILAAgCo AiLyLACCAAEgAAAJiIGoBJgKILKAmTGEYAhkkACYiAeYgMAOgAAAAAAQAAAAAAAAACAAAAAAAAAA AA==
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