PP-(13-36) (human)   Click here for help

GtoPdb Ligand ID: 1550

Synonyms: human pancreatic polypeptide (13-36)
Comment: Fragment of pancreatic polypeptide (PP)
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)CCCN=C(N)N)C(O)C)CC(C)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(C(O)C)N)CCC(=O)O)CCC(=O)N)CCSC)C)CCC(=O)N)Cc1ccc(cc1)O)C)C)CC(=O)O)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)Cc1ccc(cc1)O)CC(=O)N
Isomeric SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)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](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O
InChI InChI=1S/C129H205N39O37S2/c1-14-64(6)100(121(200)163-89(60-96(132)176)115(194)154-83(46-54-207-13)112(191)159-86(56-63(4)5)117(196)166-101(69(11)170)122(201)157-84(24-18-50-145-129(140)141)123(202)167-51-19-25-92(167)119(198)155-78(23-17-49-144-128(138)139)108(187)164-91(125(204)205)59-72-31-37-75(173)38-32-72)165-118(197)88(58-71-29-35-74(172)36-30-71)162-107(186)77(22-16-48-143-127(136)137)150-106(185)76(21-15-47-142-126(134)135)151-114(193)85(55-62(2)3)160-116(195)90(61-98(179)180)158-104(183)66(8)146-102(181)65(7)148-113(192)87(57-70-27-33-73(171)34-28-70)161-111(190)79(39-42-94(130)174)149-103(182)67(9)147-105(184)82(45-53-206-12)153-109(188)80(40-43-95(131)175)152-110(189)81(41-44-97(177)178)156-120(199)93-26-20-52-168(93)124(203)99(133)68(10)169/h27-38,62-69,76-93,99-101,169-173H,14-26,39-61,133H2,1-13H3,(H2,130,174)(H2,131,175)(H2,132,176)(H,146,181)(H,147,184)(H,148,192)(H,149,182)(H,150,185)(H,151,193)(H,152,189)(H,153,188)(H,154,194)(H,155,198)(H,156,199)(H,157,201)(H,158,183)(H,159,191)(H,160,195)(H,161,190)(H,162,186)(H,163,200)(H,164,187)(H,165,197)(H,166,196)(H,177,178)(H,179,180)(H,204,205)(H4,134,135,142)(H4,136,137,143)(H4,138,139,144)(H4,140,141,145)/t64-,65-,66-,67-,68+,69+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,99-,100-,101-/m0/s1
InChI Key QEGDVJSSWALCFX-INYLDASMSA-N
Classification Click here for help
Compound class Peptide or derivative
Synonyms Click here for help
human pancreatic polypeptide (13-36)
Database Links Click here for help
GtoPdb PubChem SID 135652407
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