Antiamoebin

Structural Information

Molecular Formula

C₈₀H₁₂₃N₁₇O₂₀

SMILES

CC[C@](C)(C(=O)NCC(=O)NC(CC(C)C)C(=O)N(C)C(C)C(=O)N(C)CC(=O)N1C[C@H](CC1C(=O)NC(CCC(=O)N)C(=O)N[C@](C)(CC)C(=O)N2C[C@H](CC2C(=O)N(C)C(C)C(=O)N3CCCC3C(=O)N[C@@H](CC4=CC=CC=C4)CO)O)O)NC(=O)CN(C)C(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)C(CC5=CC=CC=C5)NC(=O)C

InChI

InChI=1S/C80H123N17O20/c1-18-79(10,87-65(104)43-89(12)70(109)47(5)91(14)72(111)49(7)93(16)75(114)59(83-51(9)99)37-53-29-24-21-25-30-53)77(116)82-40-64(103)85-58(35-46(3)4)74(113)92(15)48(6)71(110)90(13)44-66(105)96-41-55(100)38-61(96)69(108)86-57(32-33-63(81)102)67(106)88-80(11,19-2)78(117)97-42-56(101)39-62(97)76(115)94(17)50(8)73(112)95-34-26-31-60(95)68(107)84-54(45-98)36-52-27-22-20-23-28-52/h20-25,27-30,46-50,54-62,98,100-101H,18-19,26,31-45H2,1-17H3,(H2,81,102)(H,82,116)(H,83,99)(H,84,107)(H,85,103)(H,86,108)(H,87,104)(H,88,106)/t47?,48?,49?,50?,54-,55-,56-,57?,58?,59?,60?,61?,62?,79+,80+/m0/s1

InChIKey

FCYOXUYVFGLPLR-FZVORYHSSA-N

Compound name

2-[[(4S)-1-[2-[2-[[2-[[2-[[(2R)-2-[[2-[2-[2-[(2-acetamido-3-phenylpropanoyl)-methylamino]propanoyl-methylamino]propanoyl-methylamino]acetyl]amino]-2-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoyl]-methylamino]propanoyl-methylamino]acetyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-N-[(2R)-1-[(4S)-4-hydroxy-2-[[1-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxobutan-2-yl]pentanediamide

Related CIDs

• CID 16132282