P4 [PMID: 25923432]   Click here for help

GtoPdb Ligand ID: 8344

Comment: This small peptide represents amino acids 43–55 of presenilin 1. The peptide is water soluble [1].
2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)O)CCCN=C(N)N)CC(=O)N)NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C1CCCN1C(=O)C(Cc1nc[nH]c1)NC(=O)CNC(=O)C(NC(=O)C(CO)N)CC(C)C)CCC(=O)O)CC(C)C
Isomeric SMILES OC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)CCCN=C(N)N)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1nc[nH]c1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)CCC(=O)O)CC(C)C
InChI InChI=1S/C58H93N19O19/c1-29(2)19-35(71-47(85)32(59)26-78)48(86)65-25-45(82)69-38(21-31-23-63-28-67-31)56(94)76-17-7-10-40(76)52(90)70-34(13-14-46(83)84)55(93)75-16-6-11-41(75)53(91)73-36(20-30(3)4)50(88)74-39(27-79)51(89)72-37(22-43(60)80)49(87)66-24-44(81)68-33(9-5-15-64-58(61)62)54(92)77-18-8-12-42(77)57(95)96/h23,28-30,32-42,78-79H,5-22,24-27,59H2,1-4H3,(H2,60,80)(H,63,67)(H,65,86)(H,66,87)(H,68,81)(H,69,82)(H,70,90)(H,71,85)(H,72,89)(H,73,91)(H,74,88)(H,83,84)(H,95,96)(H4,61,62,64)/t32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
InChI Key UGSPCJRSHHDBMB-OEAGQSEASA-N
Classification Click here for help
Compound class Peptide or derivative
Database Links Click here for help
GtoPdb PubChem SID 252166556
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