(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
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(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
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CAS No:
111944-83-3
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Formula:
C31H53N11O5
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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
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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
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CAS No:
(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
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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(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
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