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Home> Hot Product Listed T   > T6464054
2480-28-6 structure

T6464054

Iupac Name:(2S)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid
CAS No.:2480-28-6
Molecular Weight:188.231
Molecular Formula:C15H20CLNO4 (isomer)
Names and Identifiers
Synonyms

2-({[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl}(propyl)amino)ethan-1-ol AKOS009328238 MCULE-2759861893 MOLPORT-009-044-438 Z432109214 ZINC40515829

Inchi
InChI=1S/C7H16N4O2/c1-10-5(6(12)13)3-2-4-11-7(8)9/h5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11)/t5-/m0/s1
InChkey
NTWVQPHTOUKMDI-YFKPBYRVSA-N
Canonical Smiles
CNC(CCCN=C(N)N)C(=O)O
Isomers Smiles
CN[C@@H](CCCN=C(N)N)C(=O)O
Properties
Vapour
1.41E-07mmHg at 25°C
Refractive Index
1.565
Computational chemical data
  • Molecular Weight:188.231g/mol
  • Molecular Formula:C15H20CLNO4
  • Compound Is Canonicalized:True
  • Exact Mass:188.127
  • Monoisotopic Mass:188.127
  • Complexity:189
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:114A^2
  • Heavy Atom Count:13
  • 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: AAADceBjsAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQDCALAAgAo AACQLAAAAAEAAAAAAIGIAAACABIAgCAEQAAEEAAQAACYEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
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