albutensin A   

GtoPdb Ligand ID: 10226

Comment: Albutensin A is a serum albumin-derived peptide [1]. It acts as an agonist of the complement C3a and C5a receptors [2].
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)C)C(C)C)CO)Cc1c[nH]c2c1cccc2)C)NC(=O)C(NC(=O)C(N)C)CC(C)C
Isomeric SMILES NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)C)C(C)C)CO)Cc1c[nH]c2c1cccc2)C)NC(=O)[C@@H](NC(=O)[C@@H](N)C)CC(C)C
InChI InChI=1S/C46H76N14O11/c1-23(2)19-33(57-37(62)25(5)48)41(66)55-31(15-10-11-17-47)40(65)53-26(6)39(64)58-34(20-28-21-52-30-14-9-8-13-29(28)30)42(67)59-35(22-61)43(68)60-36(24(3)4)44(69)54-27(7)38(63)56-32(45(70)71)16-12-18-51-46(49)50/h8-9,13-14,21,23-27,31-36,52,61H,10-12,15-20,22,47-48H2,1-7H3,(H,53,65)(H,54,69)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,60,68)(H,70,71)(H4,49,50,51)/t25-,26-,27-,31-,32-,33-,34-,35-,36-/m0/s1
InChI Key CWUCHJAUTZCVMY-YUIUFFEESA-N
Classification
Compound class Peptide or derivative
IUPAC Name
L-alanyl-L-leucyl-L-lysyl-L-alanyl-L-tryptophyl-L-seryl-L-valyl-L-alanyl-L-arginine
Database Links
GtoPdb PubChem SID 381744908
PubChem CID 15234606
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