77368-63-9

Structural Information

Molecular Formula

C₆₄H₁₀₁N₂₁O₂₇S₂

SMILES

CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCCC(CC(=O)NCCCN)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/C64H101N21O27S2/c1-21-38(82-53(84-51(21)70)27(12-34(68)90)76-14-26(67)52(71)100)55(102)83-40(48(28-15-73-20-77-28)109-63-50(44(96)41(93)32(16-86)108-63)110-62-46(98)49(111-64(72)105)42(94)33(17-87)107-62)57(104)78-22(2)31(89)13-36(92)81-39(23(3)88)56(103)85-58(112-61-45(97)43(95)37(69)24(4)106-61)47(99)60-80-30(19-114-60)59-79-29(18-113-59)54(101)75-9-5-7-25(66)11-35(91)74-10-6-8-65/h15,18-20,22-27,31-33,37,39-50,58,61-63,76,86-89,93-99H,5-14,16-17,65-67,69H2,1-4H3,(H2,68,90)(H2,71,100)(H2,72,105)(H,73,77)(H,74,91)(H,75,101)(H,78,104)(H,81,92)(H,83,102)(H,85,103)(H2,70,82,84)

InChIKey

UTGDMRPEOOFHIW-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-aminopropylamino)-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 3059868