oryzatensin   

GtoPdb Ligand ID: 10227

Comment: Oryzatensin is a complement receptor C3a peptide agonist that was isolated from a tryptic digest of rice albumin [2].
The HELM annotation for the sequence is PEPTIDE1{G.Y.P.M.Y.P.L.P.R}$$$$.
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES CSCCC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)CCCN=C(N)N)CC(C)C)Cc1ccc(cc1)O)NC(=O)C1CCCN1C(=O)C(Cc1ccc(cc1)O)NC(=O)CN
Isomeric SMILES CSCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCCN=C(N)N)CC(C)C)Cc1ccc(cc1)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CN
InChI InChI=1S/C52H76N12O12S/c1-30(2)26-37(48(72)62-22-6-10-41(62)46(70)59-36(51(75)76)8-4-21-56-52(54)55)61-47(71)42-11-7-24-64(42)50(74)39(28-32-14-18-34(66)19-15-32)60-44(68)35(20-25-77-3)58-45(69)40-9-5-23-63(40)49(73)38(57-43(67)29-53)27-31-12-16-33(65)17-13-31/h12-19,30,35-42,65-66H,4-11,20-29,53H2,1-3H3,(H,57,67)(H,58,69)(H,59,70)(H,60,68)(H,61,71)(H,75,76)(H4,54,55,56)/t35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
InChI Key CUWIGJUCRMYFBS-BXXNOCLASA-N
Classification
Compound class Peptide or derivative
IUPAC Name
glycyl-L-tyrosyl-L-prolyl-L-methionyl-L-tyrosyl-L-prolyl-L-leucyl-L-prolyl-L-arginine
Database Links
GtoPdb PubChem SID 381744909
PubChem CID 101688584
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