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Demethylbleomycin A2 (Technical Grade), TRC

Product Code. 30377235
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30377235 10 mg
30372921 1 mg
30373780 5 mg
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Product Code. 30377235 Supplier Toronto Research Chemicals Supplier No. TRCD59581510MG

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Chemical Identifiers

CAS 41089-03-6
Molecular Formula C54H81N17O21S3
Molecular Weight (g/mol) 1400.52
Synonym Bleomycin DM-A2, N1-[3-(Methylthio)propyl]bleomycinamide, (2R,3S,4S,5R,6R)-2-(((2R,3S,4R,5S,6S)-2-((1R,2S)-2-(6-Amino-2-((S)-3-amino-1-(((S)-2,3-diamino-3-oxopropyl)amino)-3-oxopropyl)-5-methylpyrimidine-4-carboxamido)-3-(((2R,3S,4S)-3-hydroxy-5-(((3R)-3-hydroxy-1-((2-(4-((3-(methylthio)propyl)carbamoyl)-[2,4'-bithiazol]-2'-yl)ethyl)amino)-1-oxobutan-2-yl)amino)-4-methyl-5-oxopentan-2-yl)amino)-1-(1H-imidazol-4-yl)-3-oxopropoxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl Carbamate
IUPAC Name [(2R,5R)-2-[(2R,5S)-2-[(2S)-2-[[6-amino-2-[3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2R,3S,4S)-3-hydroxy-5-[[(3R)-3-hydroxy-1-[2-[4-[4-(3-methylsulfanylpropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
SMILES CSCCCNC(=O)c1csc(n1)c2csc(CCNC(=O)C(NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c3nc(nc(N)c3C)C(CC(=O)N)NC[C@H](N)C(=O)N)C(O[C@@H]4OC(CO)[C@@H](O)C(O)C4O[C@H]5OC(CO)[C@@H](O)C(OC(=O)N)C5O)c6c[nH]cn6)[C@@H](C)O)n2

Specifications

Quantity 10 mg
InChI Formula InChI=1S/C54H81N17O21S3/c1-19-32(68-45(71-43(19)57)24(11-30(56)75)63-12-23(55)44(58)81)49(85)70-34(40(25-13-60-18-64-25)90-53-42(38(79)36(77)28(14-72)89-53)91-52-39(80)41(92-54(59)87)37(78)29(15-73)88-52)50(86)65-21(3)35(76)20(2)46(82)69-33(22(4)74)48(84)62-9-7-31-66-27(17-94-31)51-67-26(16-95-51)47(83)61-8-6-10-93-5/h13,16-18,20-24,28-29,33-42,52-53,63,72-74,76-80H,6-12,14-15,55H2,1-5H3,(H2,56,75)(H2,58,81)(H2,59,87)(H,60,64)(H,61,83)(H,62,84)(H,65,86)(H,69,82)(H,70,85)(H2,57,68,71)/t20-,21+,22+,23-,24?,28?,29?,33?,34-,35-,36+,37+,38?,39?,40?,41?,42?,52+,53-/m0/s1
Formula Weight 1399.4955
Chemical Name or Material Demethylbleomycin A2 (Technical Grade)
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