Compound C21H25N5O8S2

3,3-dimethyl-6-[[2-[(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

CAS: 59798-30-0

Molecular Formula	`C21H25N5O8S2`
Molecular Weight	539.6 g/mol
LogP	-0.2
Topological Polar Surface Area	207.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	6
Exact Mass	539.11444
Heavy Atoms	36
Complexity	1080.0

Chemical Identifiers

CAS Number	59798-30-0
SMILES	`CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N4CCN(C4=O)S(=O)(=O)C)C(=O)O)C`
InChIKey	`YPBATNHYBCGSSN-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H25N5O8S2 (CAS: 59798-30-0) is a chemical compound with molecular formula C21H25N5O8S2 and molecular weight 539.6 g/mol. Its IUPAC systematic name is 3,3-dimethyl-6-[[2-[(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid. LogP -0.2 Topological Polar Surface Area 207.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 9 Rotatable Bonds 6 Exact Mass 539.11444 Heavy Atoms 36 Complexity 1080.0 InChI Key: YPBATNHYBCGSSN-UHFFFAOYSA-N. SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N4CCN(C4=O)S(=O)(=O)C)C(=O)O)C.

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