Primary Record
Bleomycin demethyl A2
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 139589347
- SMILES
- CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)C(=O)N[C@@H]([C@@H](C2=CN=CN2)O[C@H]3[C@@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@@H](C)[C@H]([C@@H](C)C(=O)N[C@H]([C@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCSC)O
- Canonical SMILES
- CSCCCNC(=O)c1csc(-c2csc(CCNC(=O)[C@H](NC(=O)[C@H](C)[C@H](O)[C@H](C)NC(=O)[C@@H](NC(=O)c3nc([C@H](CC(N)=O)NC[C@@H](N)C(N)=O)nc(N)c3C)[C@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](OC(N)=O)[C@H]3O)c3cnc[nH]3)[C@H](C)O)n2)n1
Names & Synonyms
- Bleomycin demethyl A2
- RefChem:120644
- CHEBI:225253
- ((2S,3R,4R,5R,6R)-2-((2R,3R,4R,5S,6S)-2-((1S,2S)-2-((6-amino-2-((1S)-3-amino-1-(((2R)-2,3-diamino-3-oxopropyl)amino)-3-oxopropyl)-5-methylpyrimidine-4-carbonyl)amino)-3-(((2S,3S,4R)-3-hydroxy-5-(((2R,3S)-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-5-yl)-3-oxopropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl) carbamate
- [(2S,3R,4R,5R,6R)-2-[(2R,3R,4R,5S,6S)-2-[(1S,2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2R)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2S,3S,4R)-3-hydroxy-5-[[(2R,3S)-3-hydroxy-1-[2-[4-[4-(3-methylsulanylpropylcarbamoyl)-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-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
- [(2S,3R,4R,5R,6R)-2-[(2R,3R,4R,5S,6S)-2-[(1S,2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2R)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2S,3S,4R)-3-hydroxy-5-[[(2R,3S)-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-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
- 2-(2-(2-(((2R,3S)-2-(((2R,3S,4S)-4-(((2S,3S)-2-(((2-((1S)-1-(((2R)-2-amino-2-(C-hydroxycarbonimidoyl)ethyl)amino)-2-(C-hydroxycarbonimidoyl)ethyl)-6-imino-5-methyl-1,6-dihydropyrimidin-4-yl)(hydroxy)methylidene)amino)-3-(((2R,3R,4R,5S,6S)-3-(((2S,3R,4R,5R,6R)-3,5-dihydroxy-4-(C-hydroxycarbonimidoyloxy)-6-(hydroxymethyl)oxan-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-1-hydroxy-3-(1H-imidazol-5-yl)propylidene)amino)-1,3-dihydroxy-2-methylpentylidene)amino)-1,3-dihydroxybutylidene)amino)ethyl)-1,3-thiazol-4-yl)-N-(3-(methylsulfanyl)propyl)-1,3-thiazole-4-carboximidate
- 2-(2-(2-(((2R,3S)-2-(((2R,3S,4S)-4-(((2S,3S)-2-(((2-((1S)-1-(((2R)-2-amino-2-(C-hydroxycarbonimidoyl)ethyl)amino)-2-(C-hydroxycarbonimidoyl)ethyl)-6-imino-5-methyl-1,6-dihydropyrimidin-4-yl)(hydroxy)methylidene)amino)-3-(((2R,3R,4R,5S,6S)-3-(((2S,3R,4R,5R,6R)-3,5-dihydroxy-4-(C-hydroxycarbonimidoyloxy)-6-(hydroxymethyl)oxan-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-1-hydroxy-3-(1H-imidazol-5-yl)propylidene)amino)-1,3-dihydroxy-2-methylpentylidene)amino)-1,3-dihydroxybutylidene)amino)ethyl)-1,3-thiazol-4-yl)-N-(3-(methylsulphanyl)propyl)-1,3-thiazole-4-carboximidate
- 2-(2-(2-(((2R,3S)-2-(((2R,3S,4S)-4-(((2S,3S)-2-(((2-((1S)-1-(((2R)-2-amino-2-(C-hydroxycarbonimidoyl)ethyl)amino)-2-(C-hydroxycarbonimidoyl)ethyl)-6-imino-5-methyl-1,6-dihydropyrimidin-4-yl)(hydroxy)methylidene)amino)-3-(((2R,3R,4R,5S,6S)-3-(((2S,3R,4R,5R,6R)-3,5-dihydroxy-4-(C-hydroxycarbonimidoyloxy)-6-(hydroxymethyl)oxan-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-1-hydroxy-3-(1H-imidazol-5-yl)propylidene)amino)-1,3-dihydroxy-2-methylpentylidene)amino)-1,3-dihydroxybutylidene)amino)ethyl)-1,3-thiazol-4-yl)-N-(3-(methylsulphanyl)propyl)-1,3-thiazole-4-carboximidic acid
- 2-[2-(2-{[(2R,3S)-2-{[(2R,3S,4S)-4-{[(2S,3S)-2-[({2-[(1S)-1-{[(2R)-2-amino-2-(C-hydroxycarbonimidoyl)ethyl]amino}-2-(C-hydroxycarbonimidoyl)ethyl]-6-imino-5-methyl-1,6-dihydropyrimidin-4-yl}(hydroxy)methylidene)amino]-3-{[(2R,3R,4R,5S,6S)-3-{[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-(C-hydroxycarbonimidoyloxy)-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino}-1,3-dihydroxy-2-methylpentylidene]amino}-1,3-dihydroxybutylidene]amino}ethyl)-1,3-thiazol-4-yl]-N-[3-(methylsulfanyl)propyl]-1,3-thiazole-4-carboximidate
- 2-[2-(2-{[(2R,3S)-2-{[(2R,3S,4S)-4-{[(2S,3S)-2-[({2-[(1S)-1-{[(2R)-2-amino-2-(C-hydroxycarbonimidoyl)ethyl]amino}-2-(C-hydroxycarbonimidoyl)ethyl]-6-imino-5-methyl-1,6-dihydropyrimidin-4-yl}(hydroxy)methylidene)amino]-3-{[(2R,3R,4R,5S,6S)-3-{[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-(C-hydroxycarbonimidoyloxy)-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino}-1,3-dihydroxy-2-methylpentylidene]amino}-1,3-dihydroxybutylidene]amino}ethyl)-1,3-thiazol-4-yl]-N-[3-(methylsulphanyl)propyl]-1,3-thiazole-4-carboximidate
- 2-[2-(2-{[(2R,3S)-2-{[(2R,3S,4S)-4-{[(2S,3S)-2-[({2-[(1S)-1-{[(2R)-2-amino-2-(C-hydroxycarbonimidoyl)ethyl]amino}-2-(C-hydroxycarbonimidoyl)ethyl]-6-imino-5-methyl-1,6-dihydropyrimidin-4-yl}(hydroxy)methylidene)amino]-3-{[(2R,3R,4R,5S,6S)-3-{[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-(C-hydroxycarbonimidoyloxy)-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino}-1,3-dihydroxy-2-methylpentylidene]amino}-1,3-dihydroxybutylidene]amino}ethyl)-1,3-thiazol-4-yl]-N-[3-(methylsulphanyl)propyl]-1,3-thiazole-4-carboximidic acid