Stereoisomer of cis-3-methyl-L-prolyl-L-valyl-N1-(carboxymethyl)-3-methylvalinimidoyl-3-methylvalyl-β-methylphenylalanyl-3-(2-thiazolyl)-β-alanine 6-methyl ester cyclic (3→1)-peptide
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Stereoisomer of cis-3-methyl-L-prolyl-L-valyl-N1-(carboxymethyl)-3-methylvalinimidoyl-3-methylvalyl-β-methylphenylalanyl-3-(2-thiazolyl)-β-alanine 6-methyl ester cyclic (3→1)-peptide
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CAS No:
15005-62-6
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Formula:
C42H62N8O7S
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Chemical Name:
Stereoisomer of cis-3-methyl-L-prolyl-L-valyl-N1-(carboxymethyl)-3-methylvalinimidoyl-3-methylvalyl-β-methylphenylalanyl-3-(2-thiazolyl)-β-alanine 6-methyl ester cyclic (3→1)-peptide
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Synonyms:
β-Alanine,N-[(2S)-2-[[glycyl-(3R)-3-methyl-L-prolyl-L-valyl]amino]-1-imino-3,3-dimethylbutyl]-3-methyl-L-valyl-(βS)-β-methyl-L-phenylalanyl-3-(2-thiazolyl)-,methyl ester,cyclic (1→1′)-imine,(3R)-;Bottromycin A2;Bottromycic A2 acid,methyl ester;Pyrrolo[1,2-a][1,4,7,10]tetraazacyclododecine,cyclic peptide deriv.;I 337B;Stereoisomer of cis-3-methyl-L-prolyl-L-valyl-N1-(carboxymethyl)-3-methylvalinimidoyl-3-methylvalyl-β-methylphenylalanyl-3-(2-thiazolyl)-β-alanine 6-methyl ester cyclic (3→1)-peptide;BTM A2;11027-17-1
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CAS No:
Stereoisomer of cis-3-methyl-L-prolyl-L-valyl-N1-(carboxymethyl)-3-methylvalinimidoyl-3-methylvalyl-β-methylphenylalanyl-3-(2-thiazolyl)-β-alanine 6-methyl ester cyclic (3→1)-peptide Basic Attributes
823.05600
823.06
Computed Properties
Molecular Weight:823.1
XLogP3:4.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:15
Exact Mass:822.44621752
Monoisotopic Mass:822.44621752
Topological Polar Surface Area:229
Heavy Atom Count:58
Complexity:1520
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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