77368-65-1

Structural Information

Molecular Formula

C₆₆H₁₀₅N₂₀O₂₇S₃

SMILES

CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCCC(CC(=O)NCCC[S+](C)C)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/C66H104N20O27S3/c1-23-40(83-55(85-53(23)71)29(14-36(69)91)77-16-28(68)54(72)101)57(103)84-42(50(30-17-74-22-78-30)110-65-52(46(97)43(94)34(18-87)109-65)111-64-48(99)51(112-66(73)106)44(95)35(19-88)108-64)59(105)79-24(2)33(90)15-38(93)82-41(25(3)89)58(104)86-60(113-63-47(98)45(96)39(70)26(4)107-63)49(100)62-81-32(21-115-62)61-80-31(20-114-61)56(102)76-10-7-9-27(67)13-37(92)75-11-8-12-116(5)6/h17,20-22,24-29,33-35,39,41-52,60,63-65,77,87-90,94-100H,7-16,18-19,67-68,70H2,1-6H3,(H14-,69,71,72,73,74,75,76,78,79,82,83,84,85,86,91,92,93,101,102,103,104,105,106)/p+1

InChIKey

OBANNAIFKNMTDV-UHFFFAOYSA-O

Compound name

3-[[3-amino-6-[[2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypentanoyl]amino]-3-hydroxybutanoyl]amino]-2-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-1-hydroxyethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]hexanoyl]amino]propyl-dimethylsulfanium

Related CIDs

• CID 3059870