77368-78-6

Structural Information

Molecular Formula

C₅₉H₉₁N₁₉O₂₇S₂

SMILES

CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCNCCO)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/C59H91N19O27S2/c1-18-33(75-48(77-46(18)63)23(9-30(61)84)69-11-22(60)47(64)93)50(95)76-35(43(24-12-67-17-70-24)102-58-45(39(89)36(86)28(13-80)101-58)103-57-41(91)44(104-59(65)98)37(87)29(14-81)100-57)52(97)71-19(2)27(83)10-31(85)74-34(20(3)82)51(96)78-53(105-56-40(90)38(88)32(62)21(4)99-56)42(92)55-73-26(16-107-55)54-72-25(15-106-54)49(94)68-6-5-66-7-8-79/h12,15-17,19-23,27-29,32,34-45,53,56-58,66,69,79-83,86-92H,5-11,13-14,60,62H2,1-4H3,(H2,61,84)(H2,64,93)(H2,65,98)(H,67,70)(H,68,94)(H,71,97)(H,74,85)(H,76,95)(H,78,96)(H2,63,75,77)

InChIKey

LUHNIHCZNRWOPH-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-hydroxy-2-[4-[4-[2-(2-hydroxyethylamino)ethylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethyl]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 3059881