Bleomycin A6
[CAS# 37293-17-7]

Identification

• Name: Bleomycin A6
• Synonyms: [(2S,3R,4R,5S,6S)-2-[(3R,4R,5R,6R)-2-[(1R,2S)-2-[[6-Amino-2-[(1S)-3-Amino-1-[(2,3-Diamino-3-Oxo-Propyl)Amino]-3-Oxo-Propyl]-5-Methyl-Pyrimidin-4-Yl]Carbonylamino]-3-[[(2S,3R,4R)-5-[[(2R,3S)-1-[2-[4-[4-[3-[4-(3-Aminopropylamino)Butylamino]Propylcarbamoyl]-1,3-Thiazol-2-Yl]-1,3-Thiazol-2-Yl]Ethylamino]-3-Hydroxy-1-Oxo-Butan-2-Yl]Amino]-3-Hydroxy-4-Methyl-5-Oxo-Pentan-2-Yl]Amino]-1-(3H-Imidazol-4-Yl)-3-Oxo-Propoxy]-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-3-Yl]Oxy-3,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl] Carbamate; Bleomycin A6; Bleomycinamide, N(Sup 1)-(3-((4-((3-Aminopropyl)Amino)Butyl)Amino)Propyl)-
• Molecular Formula: C₆₀H₉₆N₂₀O₂₁S₂
• Molecular Weight: 1497.66
• CAS Registry Number: 37293-17-7
• SMILES: [C@H](NC(C1=NC(=NC(=C1C)N)[C@H](CC(=O)N)NCC(N)C(=O)N)=O)([C@@H](OC2O[C@@H]([C@@H]([C@H]([C@H]2O[C@@H]3O[C@H]([C@@H]([C@H]([C@H]3O)OC(=O)N)O)CO)O)O)CO)C4=CN=C[NH]4)C(N[C@H]([C@@H]([C@H](C(N[C@@H](C(NCCC5=NC(=CS5)C6=NC(=CS6)C(NCCCNCCCCNCCCN)=O)=O)[C@H](C)O)=O)C)O)C)=O
• InChI: 1S/C60H96N20O21S2/c1-25-38(77-51(80-49(25)64)30(17-36(63)84)72-18-29(62)50(65)90)55(94)79-40(46(31-19-69-24-73-31)99-59-48(44(88)42(86)34(20-81)98-59)100-58-45(89)47(101-60(66)96)43(87)35(21-82)97-58)56(95)74-27(3)41(85)26(2)52(91)78-39(28(4)83)54(93)71-16-9-37-75-33(23-102-37)57-76-32(22-103-57)53(92)70-15-8-14-68-12-6-5-11-67-13-7-10-61/h19,22-24,26-30,34-35,39-48,58-59,67-68,72,81-83,85-89H,5-18,20-21,61-62H2,1-4H3,(H2,63,84)(H2,65,90)(H2,66,96)(H,69,73)(H,70,92)(H,71,93)(H,74,95)(H,78,91)(H,79,94)(H2,64,77,80)/t26-,27+,28+,29?,30+,34-,35+,39-,40+,41-,42+,43+,44-,45-,46+,47-,48-,58+,59?/m1/s1
• InChIKey: FOUFFVYWFNBHHH-OIKIRKRFSA-N

Properties

• Density: 1.534g/cm³ (Cal.)