DTXSID3043780

(3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-[(2,2,4,4-tetramethylthietan-3-yl)amino]propan-2-yl]amino]butanoic acid

CAS: 80863-62-3

Molecular Formula	`C14H25N3O4S`
Molecular Weight	331.43 g/mol
LogP	-2.6
Topological Polar Surface Area	147.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	331.1566
Heavy Atoms	22
Complexity	465.0

Chemical Identifiers

CAS Number	80863-62-3
SMILES	`CC(C(=O)NC1C(SC1(C)C)(C)C)NC(=O)C(CC(=O)O)N`
InChIKey	`IVBOUFAWPCPFTQ-SFYZADRCSA-N`

📖 Product Overview

DTXSID3043780 (CAS: 80863-62-3) is a chemical compound with molecular formula C14H25N3O4S and molecular weight 331.43 g/mol. Its IUPAC systematic name is (3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-[(2,2,4,4-tetramethylthietan-3-yl)amino]propan-2-yl]amino]butanoic acid. LogP -2.6 Topological Polar Surface Area 147.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 6 Rotatable Bonds 6 Exact Mass 331.1566 Heavy Atoms 22 Complexity 465.0 InChI Key: IVBOUFAWPCPFTQ-SFYZADRCSA-N. SMILES: CC(C(=O)NC1C(SC1(C)C)(C)C)NC(=O)C(CC(=O)O)N.

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