77368-68-4

Structural Information

Molecular Formula

C₆₅H₁₀₃N₂₁O₂₇S₂

SMILES

CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCCC(CC(=O)NCCCCN)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/C65H103N21O27S2/c1-22-39(83-54(85-52(22)71)28(13-35(69)91)77-15-27(68)53(72)101)56(103)84-41(49(29-16-74-21-78-29)110-64-51(45(97)42(94)33(17-87)109-64)111-63-47(99)50(112-65(73)106)43(95)34(18-88)108-63)58(105)79-23(2)32(90)14-37(93)82-40(24(3)89)57(104)86-59(113-62-46(98)44(96)38(70)25(4)107-62)48(100)61-81-31(20-115-61)60-80-30(19-114-60)55(102)76-11-7-8-26(67)12-36(92)75-10-6-5-9-66/h16,19-21,23-28,32-34,38,40-51,59,62-64,77,87-90,94-100H,5-15,17-18,66-68,70H2,1-4H3,(H2,69,91)(H2,72,101)(H2,73,106)(H,74,78)(H,75,92)(H,76,102)(H,79,105)(H,82,93)(H,84,103)(H,86,104)(H2,71,83,85)

InChIKey

MHLLIVLFMRYXES-UHFFFAOYSA-N

Compound name

[2-[2-[3-[[5-[[1-[[2-[4-[4-[[4-amino-6-(4-aminobutylamino)-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]-2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]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 3059872