(6S)-6-amino-8-(4-aminocyclohexa-2,5-dien-1-yl)-7-methyl-6-(methylamino)-5-oxooctanoic acid
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(6S)-6-amino-8-(4-aminocyclohexa-2,5-dien-1-yl)-7-methyl-6-(methylamino)-5-oxooctanoic acid
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CAS No:
96717-69-0
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Formula:
C16H27N3O3
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Chemical Name:
(6S)-6-amino-8-(4-aminocyclohexa-2,5-dien-1-yl)-7-methyl-6-(methylamino)-5-oxooctanoic acid
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Synonyms:
BA 2;BA-2;N-methyl-valyl-amiclenomycin;96717-69-0;N-methyl-valyl-amiclenomycin;MSD 235S2;DTXSID70914382;L-2-Amino-4-(4-amino-2,5-cyclohexadien-1-yl)-N-methyl-L-valylbutanoic acid;Butanoic acid, L-2-amino-4-(4-amino-2,5-cyclohexadien-1-yl)-N-methyl-L-valyl-;Butanoic acid, N-methyl-L-valyl-gamma-(4-amino-2,5-cyclohexadien-1-yl)-L-alpha-amino-;6-Amino-8-(4-aminocyclohexa-2,5-dien-1-yl)-7-methyl-6-(methylamino)-5-oxooctanoic acid
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CAS No:
(6S)-6-amino-8-(4-aminocyclohexa-2,5-dien-1-yl)-7-methyl-6-(methylamino)-5-oxooctanoic acid Basic Attributes
309.40 g/mol
309.20524173 g/mol
Computed Properties
Molecular Weight:309.40
XLogP3:-2.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:309.20524173
Monoisotopic Mass:309.20524173
Topological Polar Surface Area:118
Heavy Atom Count:22
Complexity:448
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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