FLPLAR   Click here for help

GtoPdb Ligand ID: 5761

Comment: Synthetic C-terminal analogue of C3a
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES CC(CC(C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)C)NC(=O)C1CCCN1C(=O)C(NC(=O)C(Cc1ccccc1)N)CC(C)C)C
Isomeric SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChI InChI=1S/C35H57N9O7/c1-20(2)17-26(31(47)40-22(5)29(45)41-25(34(50)51)13-9-15-39-35(37)38)42-32(48)28-14-10-16-44(28)33(49)27(18-21(3)4)43-30(46)24(36)19-23-11-7-6-8-12-23/h6-8,11-12,20-22,24-28H,9-10,13-19,36H2,1-5H3,(H,40,47)(H,41,45)(H,42,48)(H,43,46)(H,50,51)(H4,37,38,39)/t22-,24-,25-,26-,27-,28-/m0/s1
InChI Key HQAUWHJHJSFZOL-LSXSSXCESA-N
Classification Click here for help
Compound class Peptide or derivative
Database Links Click here for help
GtoPdb PubChem SID 178102386
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