77368-71-9

Structural Information

Molecular Formula

C₅₈H₈₉N₁₉O₂₇S₂

SMILES

CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCC(CN)O)O)NC(=O)C(C(C)O)NC(=O)CC(C(C)NC(=O)C(C(C4=CN=CN4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)OC(=O)N)O)NC(=O)C7=C(C(=NC(=N7)C(CC(=O)N)NCC(C(=O)N)N)N)C)O)O)O)N

InChI

InChI=1S/C58H89N19O27S2/c1-16-32(74-47(76-45(16)63)22(5-29(61)83)67-9-21(60)46(64)92)49(94)75-34(42(23-10-66-15-69-23)101-57-44(38(88)35(85)27(11-78)100-57)102-56-40(90)43(103-58(65)97)36(86)28(12-79)99-56)51(96)70-17(2)26(82)6-30(84)73-33(18(3)80)50(95)77-52(104-55-39(89)37(87)31(62)19(4)98-55)41(91)54-72-25(14-106-54)53-71-24(13-105-53)48(93)68-8-20(81)7-59/h10,13-15,17-22,26-28,31,33-44,52,55-57,67,78-82,85-91H,5-9,11-12,59-60,62H2,1-4H3,(H2,61,83)(H2,64,92)(H2,65,97)(H,66,69)(H,68,93)(H,70,96)(H,73,84)(H,75,94)(H,77,95)(H2,63,74,76)

InChIKey

PKKLTUMPLGJUAU-UHFFFAOYSA-N

Compound name

[2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[5-[[1-[[1-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-2-[4-[4-[(3-amino-2-hydroxypropyl)carbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-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

Related CIDs

• CID 3059875