zorbamycin

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-oxopropyl]amino}-3-oxopropyl]-5-methyl-4-pyrimidinyl}carbonyl)amino]-3-{[(3R,4S,5S)-6-{[(2S)-1-({2- [(4'R)-4-{[(3Z)-3-amino-3-iminopropyl]carbamoyl}-4',5'-dihydro-2,4'-bi-1,3-thiazol-2'-yl]ethyl}amino)-3-hydroxy-3-methyl-1-oxo-2-butanyl]amino}-1,4-dihydroxy-5-methyl-6-oxo-3-hexanyl]amino}-1-(1H-imid azol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-3-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl carbamate (non-preferred name)

• SMILES

  [H]/N=C(/CCNC(=O)c1csc(n1)[C@H]2CSC(=N2)CCNC(=O)[C@H](C(C)(C)O)NC(=O)[C@@H](C)[C@@H]([C@@H](CCO)NC(=O)[C@H]([C@H](c3c[nH]cn3)O[C@H]4[C@H]([C@H]([C@@H]([C@@H](O4)C)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)OC(=O)N)O)NC(=O)c6c(c(nc(n6)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)N)C)O)\N

• Std. InChi

  InChI=1S/C55H85N19O21S2/c1-19-32(71-45(74-43(19)60)24(12-30(59)77)66-13-22(56)44(61)83)48(86)72-33(39(25-14-63-18-67-25)93-53-41(37(81)35(79)21(3)91-53)94-52-38(82)40(95-54(62)89)36(80)28(15-76)92-52)49(87)69-23(8-11-75)34(78)20(2)46(84)73-42(55(4,5)90)50(88)65-10-7-31-68-27(17-96-31)51-70-26(16-97-51)47(85)64-9-6-29(57)58/h14,16,18,20-24,27-28,33-42,52-53,66,75-76,78-82,90H,6-13,15,17,56H2,1-5H3,(H3,57,58)(H2,59,77)(H2,61,83)(H2,62,89)(H,63,67)(H,64,85)(H,65,88)(H,69,87)(H,72,86)(H,73,84)(H2,60,71,74)/t20-,21-,22-,23+,24-,27+,28+,33-,34-,35+,36+,37-,38-,39-,40-,41-,42+,52+,53-/m0/s1

• Std. InChIKey

  UJKRUPHWCPAJIL-CPLCKGKLSA-N

• Cite this record

  CSID:34991486, http://www.chemspider.com/Chemical-Structure.34991486.html (accessed 17:55, Jun 5, 2024)