77368-69-5

Structural Information

Molecular Formula

C₆₈H₁₀₉N₂₁O₂₉S₂

SMILES

CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCCC(CC(=O)NCCCN(CCO)CCO)N)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/C68H109N21O29S2/c1-25-42(85-57(87-55(25)73)31(16-38(71)96)79-18-30(70)56(74)106)59(108)86-44(52(32-19-76-24-80-32)115-67-54(48(102)45(99)36(20-92)114-67)116-66-50(104)53(117-68(75)111)46(100)37(21-93)113-66)61(110)81-26(2)35(95)17-40(98)84-43(27(3)94)60(109)88-62(118-65-49(103)47(101)41(72)28(4)112-65)51(105)64-83-34(23-120-64)63-82-33(22-119-63)58(107)78-8-5-7-29(69)15-39(97)77-9-6-10-89(11-13-90)12-14-91/h19,22-24,26-31,35-37,41,43-54,62,65-67,79,90-95,99-105H,5-18,20-21,69-70,72H2,1-4H3,(H2,71,96)(H2,74,106)(H2,75,111)(H,76,80)(H,77,97)(H,78,107)(H,81,110)(H,84,98)(H,86,108)(H,88,109)(H2,73,85,87)

InChIKey

JLSDHLBGNKJQPE-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-[[2-[4-[4-[[4-amino-6-[3-[bis(2-hydroxyethyl)amino]propylamino]-6-oxohexyl]carbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-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 3059873