Compound C16H18N2O7S2

3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfoacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

CAS: 58569-36-1

Molecular Formula	`C16H18N2O7S2`
Molecular Weight	414.5 g/mol
LogP	1.1
Topological Polar Surface Area	175.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	414.05554
Heavy Atoms	27
Complexity	755.0

Chemical Identifiers

CAS Number	58569-36-1
SMILES	`CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)C(=O)O)C`
InChIKey	`JETQIUPBHQNHNZ-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H18N2O7S2 (CAS: 58569-36-1) is a chemical compound with molecular formula C16H18N2O7S2 and molecular weight 414.5 g/mol. Its IUPAC systematic name is 3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfoacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid. LogP 1.1 Topological Polar Surface Area 175.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 8 Rotatable Bonds 5 Exact Mass 414.05554 Heavy Atoms 27 Complexity 755.0 InChI Key: JETQIUPBHQNHNZ-UHFFFAOYSA-N. SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)C(=O)O)C.

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