Stellin b

Structural Information

Molecular Formula

C₁₄₃H₂₇₃N₈₇O₃₁

SMILES

C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC2=CN=CN2)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N

InChI

InChI=1S/C143H273N87O31/c1-71(144)100(236)209-76(25-5-47-188-128(152)153)105(241)212-79(28-8-50-191-131(158)159)108(244)214-80(29-9-51-192-132(160)161)112(248)219-86(35-15-57-198-138(172)173)115(251)222-89(38-18-60-201-141(178)179)118(254)228-95(69-232)121(257)229-94(68-231)120(256)225-91(39-19-61-202-142(180)181)123(259)230-63-21-41-96(230)122(258)224-90(42-43-97(145)233)119(255)223-87(36-16-58-199-139(174)175)116(252)220-84(33-13-55-196-136(168)169)113(249)217-82(31-11-53-194-134(164)165)110(246)215-81(30-10-52-193-133(162)163)109(245)216-83(32-12-54-195-135(166)167)111(247)218-85(34-14-56-197-137(170)171)114(250)221-88(37-17-59-200-140(176)177)117(253)227-93(64-72-65-184-70-206-72)102(238)205-67-99(235)207-74(23-3-45-186-126(148)149)103(239)211-78(27-7-49-190-130(156)157)107(243)213-77(26-6-48-189-129(154)155)106(242)210-73(22-2-44-185-125(146)147)101(237)204-66-98(234)208-75(24-4-46-187-127(150)151)104(240)226-92(124(260)261)40-20-62-203-143(182)183/h65,70-71,73-96,231-232H,2-64,66-69,144H2,1H3,(H2,145,233)(H,184,206)(H,204,237)(H,205,238)(H,207,235)(H,208,234)(H,209,236)(H,210,242)(H,211,239)(H,212,241)(H,213,243)(H,214,244)(H,215,246)(H,216,245)(H,217,249)(H,218,247)(H,219,248)(H,220,252)(H,221,250)(H,222,251)(H,223,255)(H,224,258)(H,225,256)(H,226,240)(H,227,253)(H,228,254)(H,229,257)(H,260,261)(H4,146,147,185)(H4,148,149,186)(H4,150,151,187)(H4,152,153,188)(H4,154,155,189)(H4,156,157,190)(H4,158,159,191)(H4,160,161,192)(H4,162,163,193)(H4,164,165,194)(H4,166,167,195)(H4,168,169,196)(H4,170,171,197)(H4,172,173,198)(H4,174,175,199)(H4,176,177,200)(H4,178,179,201)(H4,180,181,202)(H4,182,183,203)/t71-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-/m0/s1

InChIKey

APLOVDLHSFJDEJ-TWOJEVFSSA-N

Compound name

(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoic acid

Related CIDs

• CID 124201448