FPYVAE peptide [PMID: 20494585]   Click here for help

GtoPdb Ligand ID: 3024

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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)CCC(C(=O)O)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)N)Cc1ccc(cc1)O)C
Isomeric SMILES OC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N)Cc1ccc(cc1)O)C
InChI InChI=1S/C36H48N6O10/c1-20(2)30(34(49)38-21(3)31(46)39-26(36(51)52)15-16-29(44)45)41-32(47)27(19-23-11-13-24(43)14-12-23)40-33(48)28-10-7-17-42(28)35(50)25(37)18-22-8-5-4-6-9-22/h4-6,8-9,11-14,20-21,25-28,30,43H,7,10,15-19,37H2,1-3H3,(H,38,49)(H,39,46)(H,40,48)(H,41,47)(H,44,45)(H,51,52)/t21-,25-,26-,27-,28-,30-/m0/s1
InChI Key QKSOHTFYHNYHRK-YFVDCHTDSA-N
Classification Click here for help
Compound class Peptide or derivative
IUPAC Name Click here for help
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]propanamido]pentanedioic acid
Database Links Click here for help
ChEMBL Ligand CHEMBL1165259
GtoPdb PubChem SID 135651957
PubChem CID 46906163
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