Apitoxin

Structural Information

Molecular Formula

C₁₂₉H₂₂₄N₃₈O₃₁

SMILES

CCC(C)C(C(=O)NCC(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(CO)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(C(C)CC)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CNC(=O)N)C(=O)N(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)N)NC(=O)CN

InChI

InChI=1S/C129H224N38O31/c1-24-71(18)101(159-95(172)58-133)119(189)143-61-96(173)145-74(21)107(177)160-99(69(14)15)120(190)154-85(53-64(4)5)112(182)150-83(41-31-34-49-132)111(181)161-100(70(16)17)121(191)155-87(55-66(8)9)114(184)165-104(76(23)169)124(194)162-98(68(12)13)118(188)142-62-97(174)147-89(56-67(10)11)125(195)166-51-36-43-92(166)117(187)146-75(22)106(176)152-86(54-65(6)7)113(183)163-103(73(20)26-3)123(193)157-91(63-168)116(186)153-88(57-77-59-141-79-38-28-27-37-78(77)79)115(185)164-102(72(19)25-2)122(192)151-82(40-30-33-48-131)108(178)149-84(42-35-50-140-127(137)138)109(179)148-81(39-29-32-47-130)110(180)156-90(60-144-128(139)197)126(196)167(52-46-94(135)171)129(198)158-80(105(136)175)44-45-93(134)170/h27-28,37-38,59,64-76,80-92,98-104,141,168-169H,24-26,29-36,39-58,60-63,130-133H2,1-23H3,(H2,134,170)(H2,135,171)(H2,136,175)(H,142,188)(H,143,189)(H,145,173)(H,146,187)(H,147,174)(H,148,179)(H,149,178)(H,150,182)(H,151,192)(H,152,176)(H,153,186)(H,154,190)(H,155,191)(H,156,180)(H,157,193)(H,158,198)(H,159,172)(H,160,177)(H,161,181)(H,162,194)(H,163,183)(H,164,185)(H,165,184)(H4,137,138,140)(H3,139,144,197)

InChIKey

PZEUTLIKVUEDLB-UHFFFAOYSA-N

Compound name

2-[[[2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[2-[[2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetyl]amino]propanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-(carbamoylamino)propanoyl]-(3-amino-3-oxopropyl)carbamoyl]amino]pentanediamide

Related CIDs

• CID 133082063