127869-51-6
(4R,10S,16S,19S,22S,28S,31S,34S,37S,40S,43S,49S,52R)-52-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]acetyl]amino]-40-(4-aminobutyl)-49-benzyl-28-[(2S)-butan-2-yl]-31-(3-carbamimidamidopropyl)-34-(carboxymethyl)-16,22-bis(hydroxymethyl)-10,37,43-tris(2-methylpropyl)-19-(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacontane-4-carboxylic acid
Molecular Identity
127869-51-6
(4R,10S,16S,19S,22S,28S,31S,34S,37S,40S,43S,49S,52R)-52-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]acetyl]amino]-40-(4-aminobutyl)-49-benzyl-28-[(2S)-butan-2-yl]-31-(3-carbamimidamidopropyl)-34-(carboxymethyl)-16,22-bis(hydroxymethyl)-10,37,43-tris(2-methylpropyl)-19-(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacontane-4-carboxylic acid
PubChem CID: 16179407
2D Structure
Properties
C93H157N27O28S3
Molecular Formula
2197.60
Molecular Weight
g/mol
2196.0854
Exact Mass
Da
-8.7
XLogP
Drug-like (Lipinski: < 5)
962
TPSA
May have limited oral absorption
32
H-Bond Donors
35
H-Bond Acceptors
4490
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
127869-51-6Natriuretic peptide, C-typeC-Type natriuretic peptideCNP-22DTXSID60155686RefChem:164871C Type Natriuretic PeptideNatriuretic Peptide, C TypePeptide, C-Type NatriureticC Type Natriuretic Peptide 22C Type Natriuretic Peptide 53C-Type Natriuretic Peptide-53DTXCID9078177Natriuretic Peptide-22, C-TypeNatriuretic Peptide-53, C-Type
Data from PubChem (NCBI)
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