Eledone peptide

PubChem Notes:

Eledoisin A peptide extracted from the posterior salivary glands of certain small octopi (Eledone spp., Mollusca), or obtained by synthesis. Its actions resemble those of SUBSTANCE P; it is a potent vasodilator and increases capillary permeability. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1364)

Molecular Formula: C54H85N13O15S


InChI: InChI=1/C54H85N13O15S/c1-7-30(4)44(53(81)57-27-42(70)60-36(24-29(2)3)49(77)61-33(45(56)73)20-23-83-6)66-50(78)37(25-32-14-9-8-10-15-32)63-46(74)31(5)58-48(76)38(26-43(71)72)64-47(75)34(16-11-12-21-55)62-51(79)39(28-68)65-52(80)40-17-13-22-67(40)54(82)35-18-19-41(69)59-35/h8-10,14-15,29-31,33-40,44,68H,7,11-13,16-28,55H2,1-6H3,(H2,56,73)(H,57,81)(H,58,76)(H,59,69)(H,60,70)(H,61,77)(H,62,79)(H,63,74)(H,64,75)(H,65,80)(H,66,78)(H,71,72)/f/h57-66,71H,56H2

InChIKey: InChIKey=AYLPVIWBPZMVSH-AYTHZFJRCR
SMILES: CCC(C)C(C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C2CCCN2C(=O)C3CCC(=O)N3

Names:
    BRN 4796573
    ELD 950
    Eledoisina [INN-Spanish]
    Eledoisine [INN-French]
    ELEDOISIN
    Eledoisinum
    Eledoisin [INN]
    Eledone peptide
    FI 6225 TF/Ocoa
    3-[[6-amino-2-[[3-hydroxy-2-[[1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoyl]amino]-3-[1-[[1-[[1-[[1-[(1-carbamoyl-3-methylsulfanyl-propyl)carbamoyl]-3-methyl-butyl]carbamoylmethylcarbamoyl]-2-methyl-butyl]carbamoyl]-2-phenyl-ethyl]carbamoyl]ethylcarbamoyl]propanoic acid
    5-Oxo-L-prolyl-L-prolyl-L-seryl-L-lysyl-L-aspartyl-L-alanyl-L-phenylalanyl-L-isoleucylglycyl-L-leucyl-L-methioninamide

Registries:
    PubChem CID 6242
    PubChem ID 149165