692-29-5 Purity
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Specification
The molecular formula of Eledoisin is C54H85N13O15S.
The molecular weight of Eledoisin is 1188.4 g/mol.
Some synonyms for Eledoisin include ELEDOISIN, Eledone peptide, and ELD-950.
The IUPAC Name of Eledoisin is (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.
The InChIKey of Eledoisin is AYLPVIWBPZMVSH-FCKMLYJASA-N.
The Canonical SMILES of Eledoisin is 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.
The CAS number of Eledoisin is 69-25-0.
The XLogP3-AA value of Eledoisin is -3.6.
Eledoisin has 14 hydrogen bond donor counts.
Eledoisin has 36 rotatable bond counts.