eledoisin

Chemical data

Formula

C54H85N13O15S

Molecular weight

1188.4 g/mol

IUPAC name

(3S)-3-[[(2S)-6-amino-2-[[(2S)-3-hydroxy-2-[[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCC(=O)N3

InChIKey

AYLPVIWBPZMVSH-FCKMLYJASA-N

XLogP

-3.6

Polar surface area

463 Ų

H-bond donors

14

H-bond acceptors

17

Formal charge

0

via PubChem

Drug data · ChEMBL

Max clinical phase

Phase 2

Molecule type

Protein

via ChEMBL · EBI

• Hypotensive peptides: bradykinin, kallidin, and eledoisin.Advances in pharmacology · 1966
• [ELEDOISIN. CHEMISTRY, PHARMACOLOGY CLINICO-EXPERIMENTAL AND PRELIMINARY THERAPEUTICAL EXPERIENCES].Deutsche medizinische Wochenschrift (1946) · 1965
• Synthesis of eledoisin.Experientia · 1962
• Renal prostaglandins.Advances in prostaglandin and thromboxane research · 1976
• Eledoisin and lacrimal secretion in the rabbit.Current eye research · 1990

via PubMed

Wikidata facts

Subclass of

tachykinins

Mass

1187.60088

via Wikidata · CC0