77368-72-0

Structural Information

Molecular Formula

C₅₇H₈₇N₁₉O₂₆S₂

SMILES

CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCN)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/C57H87N19O26S2/c1-16-31(73-46(75-44(16)62)21(7-28(60)81)67-9-20(59)45(63)90)48(92)74-33(41(22-10-65-15-68-22)99-56-43(37(86)34(83)26(11-77)98-56)100-55-39(88)42(101-57(64)95)35(84)27(12-78)97-55)50(94)69-17(2)25(80)8-29(82)72-32(18(3)79)49(93)76-51(102-54-38(87)36(85)30(61)19(4)96-54)40(89)53-71-24(14-104-53)52-70-23(13-103-52)47(91)66-6-5-58/h10,13-15,17-21,25-27,30,32-43,51,54-56,67,77-80,83-89H,5-9,11-12,58-59,61H2,1-4H3,(H2,60,81)(H2,63,90)(H2,64,95)(H,65,68)(H,66,91)(H,69,94)(H,72,82)(H,74,92)(H,76,93)(H2,62,73,75)

InChIKey

NZHOIRNVDWJTQJ-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-(2-aminoethylcarbamoyl)-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 3059876