Dusquetide
(2S)-1-[(2S)-2-[[(3S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular Identity
Dusquetide
(2S)-1-[(2S)-2-[[(3S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
PubChem CID: 122177130
2D Structure
Properties
C25H47N9O5
Molecular Formula
553.70
Molecular Weight
g/mol
553.3700
Exact Mass
Da
-2.7
XLogP
Drug-like (Lipinski: < 5)
241
TPSA
May have limited oral absorption
7
H-Bond Donors
7
H-Bond Acceptors
906
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C)C(C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CCCN=C(N)N)NIsomeric SMILES
SMILES: CC[C@H](C)C(C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NSynonyms(20)
IKX7W49NLNSGX94IMX 942SGX942dusquetidaL-Alaninamide, L-arginyl-L-isoleucyl-L-valyl-L-prolyl-L-arginyl-L-isoleucyl-L-valyl-L-prolyl-L-alaninamideArg-ile-val-pro-ala-nh2SGX-94dusquetidumIMX-942SGX-942RefChem:136017Innate Defense Regulator SGX942(3S)-2-((2S)-2-amino-5-carbamimidamidopentanamido)-N-((2S)-1-((2S)-2-(((1S)-1-carbamoylethyl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)-3-methylpentanamide
Data from PubChem (NCBI)
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