Bleomycin A5

More details:

• Systematic name

  [(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R,2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxo-propyl]amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[[(1R,2S,3S)-4-[[(1S,2R)-1-[2-[4-[4-[3-(4-aminobutylamino)propylcarbamoyl]thiazol-2-yl]thiazol-2-yl]ethylcarbamoyl]-2-hydroxy-propyl]amino]-2-hydroxy-1,3-dimethyl-4-oxo-butyl]amino]-1-(3H-imidazol-4-yl)-3-oxo-propoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] carbamate

• SMILES

  O=C(N)[C@@H](N)CN[C@H](c1nc(N)c(c(n1)C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@@H](C(=O)N[C@H](C(=O)NCCc2nc(cs2)c3nc(C(=O)NCCCNCCCCN)cs3)[C@H](O)C)C)[C@@H](O[C@@H]5O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]4O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@@H]4O)c6cncn6)C)CC(=O)N

• Std. InChi

  InChI=1S/C57H89N19O21S2/c1-22-35(73-48(76-46(22)61)27(14-33(60)80)68-15-26(59)47(62)86)52(90)75-37(43(28-16-65-21-69-28)95-56-45(41(84)39(82)31(17-77)94-56)96-55-42(85)44(97-57(63)92)40(83)32(18-78)93-55)53(91)70-24(3)38(81)23(2)49(87)74-36(25(4)79)51(89)67-13-8-34-71-30(20-98-34)54-72-29(19-99-54)50(88)66-12-7-11-64-10-6-5-9-58/h16,19-21,23-27,31-32,36-45,55-56,64,68,77-79,81-85H,5-15,17-18,58-59H2,1-4H3,(H2,60,80)(H2,62,86)(H2,63,92)(H,65,69)(H,66,88)(H,67,89)(H,70,91)(H,74,87)(H,75,90)(H2,61,73,76)/t23-,24+,25+,26-,27-,31-,32+,36-,37-,38-,39+,40+,41-,42-,43-,44-,45-,55+,56-/m0/s1

• Std. InChIKey

  QYOAUOAXCQAEMW-UTXKDXHTSA-N

• Cite this record

  CSID:8232875, http://www.chemspider.com/Chemical-Structure.8232875.html (accessed 09:46, Apr 19, 2024)