General Information of the Compound
| Compound ID |
CP0519952
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| Compound Name |
(2S)-5-[[(5S)-5-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-5-amino-2-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-2-methylpropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[2-[[2-[(2S)-2-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-6-oxohexyl]amino]-2-[[(4S)-4-carboxy-4-(heptadecanoylamino)butanoyl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C211H332N54O64
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| Molecular Weight |
4649.291
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| Canonical SMILES |
CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)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](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C211H332N54O64/c1-19-21-22-23-24-25-26-27-28-29-30-31-32-39-67-159(277)233-137(206(326)327)72-79-160(278)234-136(205(324)325)71-78-158(276)222-84-47-44-61-129(236-182(301)132(69-76-156(216)274)239-179(298)128(60-43-46-83-213)238-193(312)148(107-268)253-187(306)139(91-112(5)6)244-190(309)145(98-168(289)290)249-194(313)150(109-270)255-201(320)171(119(14)272)259-192(311)142(94-121-55-37-34-38-56-121)250-200(319)170(118(13)271)257-163(281)103-227-176(295)131(68-75-155(215)273)256-208(329)211(17,18)260-175(294)125(214)96-123-100-221-110-229-123)181(300)248-144(97-167(287)288)189(308)241-134(73-80-165(283)284)184(303)240-133(70-77-157(217)275)183(302)237-130(62-48-85-223-209(219)220)178(297)231-116(11)174(293)235-127(59-42-45-82-212)180(299)243-138(90-111(3)4)186(305)246-141(93-120-53-35-33-36-54-120)191(310)258-169(114(9)20-2)199(318)242-135(74-81-166(285)286)185(304)247-143(95-122-99-224-126-58-41-40-57-124(122)126)188(307)245-140(92-113(7)8)196(315)261-210(15,16)207(328)232-115(10)173(292)226-101-161(279)225-104-164(282)262-86-49-63-151(262)197(316)254-149(108-269)195(314)252-147(106-267)177(296)228-102-162(280)230-117(12)202(321)264-88-51-65-153(264)204(323)265-89-52-66-154(265)203(322)263-87-50-64-152(263)198(317)251-146(105-266)172(218)291/h33-38,40-41,53-58,99-100,110-119,125,127-154,169-171,224,266-272H,19-32,39,42-52,59-98,101-109,212-214H2,1-18H3,(H2,215,273)(H2,216,274)(H2,217,275)(H2,218,291)(H,221,229)(H,222,276)(H,225,279)(H,226,292)(H,227,295)(H,228,296)(H,230,280)(H,231,297)(H,232,328)(H,233,277)(H,234,278)(H,235,293)(H,236,301)(H,237,302)(H,238,312)(H,239,298)(H,240,303)(H,241,308)(H,242,318)(H,243,299)(H,244,309)(H,245,307)(H,246,305)(H,247,304)(H,248,300)(H,249,313)(H,250,319)(H,251,317)(H,252,314)(H,253,306)(H,254,316)(H,255,320)(H,256,329)(H,257,281)(H,258,310)(H,259,311)(H,260,294)(H,261,315)(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H,324,325)(H,326,327)(H4,219,220,223)/t114-,115-,116-,117-,118+,119+,125-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,169-,170-,171-/m0/s1
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| InChIKey |
WPTOFNPFAXHLHJ-ZKGJGAHHSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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| PubChem ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02242, Gastric inhibitory polypeptide receptor
Protein ID: PT01473, Glucagon receptor