Pthrp-(1-36)

Structural Information

Molecular Formula

C₁₉₁H₃₀₅N₅₉O₅₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC=N1)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@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@H](CC3=CNC=N3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC6=CNC=N6)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC7=CNC=N7)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)N

InChI

InChI=1S/C191H305N59O52/c1-25-99(17)149(184(297)217-104(22)155(268)220-122(54-59-144(259)260)165(278)246-151(101(19)27-3)186(299)242-135(77-113-84-207-92-216-113)180(293)250-153(106(24)253)187(300)218-105(23)156(269)221-123(55-60-145(261)262)166(279)249-152(188(301)302)102(20)28-4)247-179(292)128(70-97(13)14)233-174(287)132(74-110-81-204-89-213-110)239-175(288)133(75-111-82-205-90-214-111)237-170(283)127(69-96(11)12)231-171(284)130(72-108-44-33-30-34-45-108)235-172(285)129(71-107-42-31-29-32-43-107)234-161(274)118(50-41-65-210-191(201)202)224-159(272)116(48-39-63-208-189(197)198)223-160(273)117(49-40-64-209-190(199)200)225-167(280)124(66-93(5)6)232-178(291)137(79-147(265)266)240-163(276)120(52-57-141(196)255)228-185(298)150(100(18)26-2)248-182(295)139(87-252)243-158(271)115(47-36-38-62-193)219-142(256)85-211-157(270)114(46-35-37-61-192)222-177(290)136(78-146(263)264)241-176(289)134(76-112-83-206-91-215-112)238-169(282)126(68-95(9)10)230-168(281)125(67-94(7)8)229-162(275)119(51-56-140(195)254)226-173(286)131(73-109-80-203-88-212-109)236-164(277)121(53-58-143(257)258)227-181(294)138(86-251)244-183(296)148(98(15)16)245-154(267)103(21)194/h29-34,42-45,80-84,88-106,114-139,148-153,251-253H,25-28,35-41,46-79,85-87,192-194H2,1-24H3,(H2,195,254)(H2,196,255)(H,203,212)(H,204,213)(H,205,214)(H,206,215)(H,207,216)(H,211,270)(H,217,297)(H,218,300)(H,219,256)(H,220,268)(H,221,269)(H,222,290)(H,223,273)(H,224,272)(H,225,280)(H,226,286)(H,227,294)(H,228,298)(H,229,275)(H,230,281)(H,231,284)(H,232,291)(H,233,287)(H,234,274)(H,235,285)(H,236,277)(H,237,283)(H,238,282)(H,239,288)(H,240,276)(H,241,289)(H,242,299)(H,243,271)(H,244,296)(H,245,267)(H,246,278)(H,247,292)(H,248,295)(H,249,279)(H,250,293)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,301,302)(H4,197,198,208)(H4,199,200,209)(H4,201,202,210)/t99-,100-,101-,102-,103-,104-,105-,106+,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,148-,149-,150-,151-,152-,153-/m0/s1

InChIKey

NNRMZXDHMCWWRV-RHBZDGMUSA-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)-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-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]acetyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]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 155817428