SELEPRESSIN
(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-10-(4-amino-4-oxobutyl)-7-(2-amino-2-oxoethyl)-16-benzyl-13-[(2S)-butan-2-yl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-5-(propan-2-ylamino)pentan-2-yl]pyrrolidine-2-carboxamide
Molecular Identity
SELEPRESSIN
(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-10-(4-amino-4-oxobutyl)-7-(2-amino-2-oxoethyl)-16-benzyl-13-[(2S)-butan-2-yl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-5-(propan-2-ylamino)pentan-2-yl]pyrrolidine-2-carboxamide
PubChem CID: 53330936
2D Structure
Properties
C46H73N13O11S2
Molecular Formula
1048.30
Molecular Weight
g/mol
1047.4994
Exact Mass
Da
-2.5
XLogP
Drug-like (Lipinski: < 5)
442
TPSA
May have limited oral absorption
12
H-Bond Donors
15
H-Bond Acceptors
1910
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
SELEPRESSINFe202158Fe 202158Selepressin [USAN:INN]Selepressin [INN]UNII-8P2T76M0SJselepresinaselepressine8P2T76M0SJFE-202158(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-10-(4-amino-4-oxobutyl)-7-(2-amino-2-oxoethyl)-16-benzyl-13-[(2S)-butan-2-yl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-5-(propan-2-ylamino)pentan-2-yl]pyrrolidine-2-carboxamideSELEPRESSIN [USAN]SELEPRESSIN [WHO-DD]Glycinamide, L-cysteinyl-L-phenylalanyl-L-isoleucyl-6-oxo-L-lysyl-L-asparaginyl-L-cysteinyl-L-prolyl-n5-(1-methylethyl)-L-ornithyl-, cyclic (1-6)-disulfideDTXSID90236538
Data from PubChem (NCBI)
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