Cyclo(N-methyl-L-alanyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(3R)-3-hydroxy-N-methyl-L-leucyl-(2S)-2-aminobutanoyl-N-methylglycyl-N-methyl-L-alanyl-L-valyl)
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Cyclo(N-methyl-L-alanyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(3R)-3-hydroxy-N-methyl-L-leucyl-(2S)-2-aminobutanoyl-N-methylglycyl-N-methyl-L-alanyl-L-valyl)
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CAS No:
166445-47-2
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Formula:
C53H95N11O12
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Chemical Name:
Cyclo(N-methyl-L-alanyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(3R)-3-hydroxy-N-methyl-L-leucyl-(2S)-2-aminobutanoyl-N-methylglycyl-N-methyl-L-alanyl-L-valyl)
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Synonyms:
(MeLeu(3-OH)1, MeAla4,6)-CsA;166445-47-2;[MeLeu(3-OH)1, MeAla4,6]-CsA;Cyclo(N-methyl-L-alanyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(3R)-3-hydroxy-N-methyl-L-leucyl-(2S)-2-aminobutanoyl-N-methylglycyl-N-methyl-L-alanyl-L-valyl);Cyclo[N-methyl-L-alanyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(3R)-3-hydroxy-N-methyl-L-leucyl-(2S)-2-aminobutanoyl-N-methylglycyl-N-methyl-L-alanyl-L-valyl];DTXSID70168106;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R)-1-hydroxy-2-methylpropyl]-1,4,7,10,12,15,18,19,24,25,28-undecamethyl-6,9-bis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29
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CAS No:
Cyclo(N-methyl-L-alanyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(3R)-3-hydroxy-N-methyl-L-leucyl-(2S)-2-aminobutanoyl-N-methylglycyl-N-methyl-L-alanyl-L-valyl) Basic Attributes
1078.4 g/mol
1077.71616751 g/mol
DTXSID70168106
Computed Properties
Molecular Weight:1078.4
XLogP3:4.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:9
Exact Mass:1077.71616751
Monoisotopic Mass:1077.71616751
Topological Polar Surface Area:279
Heavy Atom Count:76
Complexity:2080
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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