77368-75-3

Structural Information

Molecular Formula

C₆₀H₉₃N₁₉O₂₇S₂

SMILES

CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCCNCCO)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/C60H93N19O27S2/c1-19-34(76-49(78-47(19)64)24(10-31(62)85)70-12-23(61)48(65)94)51(96)77-36(44(25-13-68-18-71-25)103-59-46(40(90)37(87)29(14-81)102-59)104-58-42(92)45(105-60(66)99)38(88)30(15-82)101-58)53(98)72-20(2)28(84)11-32(86)75-35(21(3)83)52(97)79-54(106-57-41(91)39(89)33(63)22(4)100-57)43(93)56-74-27(17-108-56)55-73-26(16-107-55)50(95)69-7-5-6-67-8-9-80/h13,16-18,20-24,28-30,33,35-46,54,57-59,67,70,80-84,87-93H,5-12,14-15,61,63H2,1-4H3,(H2,62,85)(H2,65,94)(H2,66,99)(H,68,71)(H,69,95)(H,72,98)(H,75,86)(H,77,96)(H,79,97)(H2,64,76,78)

InChIKey

RYKNHYOWVFSDAT-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-[3-(2-hydroxyethylamino)propylcarbamoyl]-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 3059879