Eneboparatide

Structural Information

Molecular Formula

C₁₉₁H₃₁₂N₆₀O₄₉S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)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](C)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC5=CNC=N5)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC6=CNC=N6)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)N

InChI

InChI=1S/C191H312N60O49S/c1-28-96(14)146(182(294)221-106(24)156(268)226-126(60-66-142(258)259)170(282)247-149(99(17)31-4)185(297)244-136(83-113-88-208-91-216-113)180(292)251-151(108(26)252)186(298)222-107(25)157(269)227-127(61-67-143(260)261)171(283)250-150(187(299)300)100(18)32-5)248-178(290)131(78-94(10)11)238-164(276)117(51-39-41-70-193)231-176(288)135(82-112-87-207-90-215-112)242-174(286)130(77-93(8)9)239-175(287)132(79-109-46-34-33-35-47-109)236-158(270)104(22)218-159(271)118(52-42-71-209-188(198)199)228-162(274)121(55-45-74-212-191(204)205)230-161(273)120(54-44-73-211-190(202)203)224-154(266)103(21)219-172(284)137(84-144(262)263)243-167(279)124(58-64-140(197)255)235-184(296)148(98(16)30-3)249-179(291)133(80-110-85-213-115-49-37-36-48-114(110)115)240-163(275)116(50-38-40-69-192)223-153(265)102(20)217-160(272)119(53-43-72-210-189(200)201)229-165(277)122(56-62-138(195)253)232-177(289)134(81-111-86-206-89-214-111)241-168(280)128(68-75-301-27)233-173(285)129(76-92(6)7)237-166(278)123(57-63-139(196)254)234-183(295)147(97(15)29-2)246-169(281)125(59-65-141(256)257)225-155(267)105(23)220-181(293)145(95(12)13)245-152(264)101(19)194/h33-37,46-49,85-108,116-137,145-151,213,252H,28-32,38-45,50-84,192-194H2,1-27H3,(H2,195,253)(H2,196,254)(H2,197,255)(H,206,214)(H,207,215)(H,208,216)(H,217,272)(H,218,271)(H,219,284)(H,220,293)(H,221,294)(H,222,298)(H,223,265)(H,224,266)(H,225,267)(H,226,268)(H,227,269)(H,228,274)(H,229,277)(H,230,273)(H,231,288)(H,232,289)(H,233,285)(H,234,295)(H,235,296)(H,236,270)(H,237,278)(H,238,276)(H,239,287)(H,240,275)(H,241,280)(H,242,286)(H,243,279)(H,244,297)(H,245,264)(H,246,281)(H,247,282)(H,248,290)(H,249,291)(H,250,283)(H,251,292)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,299,300)(H4,198,199,209)(H4,200,201,210)(H4,202,203,211)(H4,204,205,212)/t96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108+,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,145-,146-,147-,148-,149-,150-,151-/m0/s1

InChIKey

CJNIIWBAKDKTCF-NBCFYLKLSA-N

Compound name

(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 172915634