Zorbamycin

Structural Information

Molecular Formula

C₅₅H₈₅N₁₉O₂₁S₂

SMILES

C[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H](C2=CN=CN2)[C@@H](C(=O)N[C@H](CCO)[C@H]([C@H](C)C(=O)N[C@H](C(=O)NCCC3=N[C@H](CS3)C4=NC(=CS4)C(=O)NCCC(=N)N)C(C)(C)O)O)NC(=O)C5=C(C(=NC(=N5)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)N)C)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)OC(=O)N)O)O)O

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

InChIKey

UJKRUPHWCPAJIL-CPLCKGKLSA-N

Compound 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-methylpyrimidine-4-carbonyl]amino]-3-[[(3R,4S,5S)-6-[[(2S)-1-[2-[(4R)-4-[4-[(3-amino-3-iminopropyl)carbamoyl]-1,3-thiazol-2-yl]-4,5-dihydro-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1,4-dihydroxy-5-methyl-6-oxohexan-3-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate

Related CIDs

• CID 70697970