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Home > Encyclopedia > (2S)-N1-[(16S)-16,21-Diamino-21-imino-15-oxo-6,10,14,20-tetraazaheneicos-1-yl]-2-[[(4-hydroxy-1H-indol-3-yl)acetyl]amino]butanediamide

(2S)-N1-[(16S)-16,21-Diamino-21-imino-15-oxo-6,10,14,20-tetraazaheneicos-1-yl]-2-[[(4-hydroxy-1H-indol-3-yl)acetyl]amino]butanediamide

(2S)-N1-[(16S)-16,21-Diamino-21-imino-15-oxo-6,10,14,20-tetraazaheneicos-1-yl]-2-[[(4-hydroxy-1H-indol-3-yl)acetyl]amino]butanediamide structure

(2S)-N1-[(16S)-16,21-Diamino-21-imino-15-oxo-6,10,14,20-tetraazaheneicos-1-yl]-2-[[(4-hydroxy-1H-indol-3-yl)acetyl]amino]butanediamide 

structure
  • CAS No:

    111944-83-3

  • Formula:

    C31H53N11O5

  • Chemical Name:

    (2S)-N1-[(16S)-16,21-Diamino-21-imino-15-oxo-6,10,14,20-tetraazaheneicos-1-yl]-2-[[(4-hydroxy-1H-indol-3-yl)acetyl]amino]butanediamide

  • Synonyms:

    Butanediamide,N1-[(16S)-16,21-diamino-21-imino-15-oxo-6,10,14,20-tetraazaheneicos-1-yl]-2-[[(4-hydroxy-1H-indol-3-yl)acetyl]amino]-,(2S)-;Butanediamide,N1-(16,21-diamino-21-imino-15-oxo-6,10,14,20-tetraazaheneicos-1-yl)-2-[[(4-hydroxy-1H-indol-3-yl)acetyl]amino]-,[S-(R*,R*)]-;(2S)-N1-[(16S)-16,21-Diamino-21-imino-15-oxo-6,10,14,20-tetraazaheneicos-1-yl]-2-[[(4-hydroxy-1H-indol-3-yl)acetyl]amino]butanediamide;Argiotoxin 659

  • Categories:

    Organic Chemistry  >  Amides

Description

Argiotoxin 659 is a N-acyl-amino acid.

(2S)-N1-[(16S)-16,21-Diamino-21-imino-15-oxo-6,10,14,20-tetraazaheneicos-1-yl]-2-[[(4-hydroxy-1H-indol-3-yl)acetyl]amino]butanediamide Basic Attributes

659.832

659.82

Characteristics

281

-2.3

1.37±0.1 g/cm3(Predicted)

Drug Information

argiopinin 3

Computed Properties

Molecular Weight:659.8
XLogP3:-2.3
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:25
Exact Mass:659.42311383
Monoisotopic Mass:659.42311383
Topological Polar Surface Area:281
Heavy Atom Count:47
Complexity:982
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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