DTXSID20911407

(6S,7S)-7-[(2-amino-2-cyclohexa-2,5-dien-1-ylacetyl)amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS: 109945-75-7

Molecular Formula	`C16H19N3O5S`
Molecular Weight	365.4 g/mol
LogP	-2.0
Topological Polar Surface Area	147.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	365.10455
Heavy Atoms	25
Complexity	690.0

Chemical Identifiers

CAS Number	109945-75-7
SMILES	`COC1=C(N2C(C(C2=O)NC(=O)C(C3C=CCC=C3)N)SC1)C(=O)O`
InChIKey	`QBHQOFVJNUQDCO-GPSKOVRPSA-N`

📖 Product Overview

DTXSID20911407 (CAS: 109945-75-7) is a chemical compound with molecular formula C16H19N3O5S and molecular weight 365.4 g/mol. Its IUPAC systematic name is (6S,7S)-7-[(2-amino-2-cyclohexa-2,5-dien-1-ylacetyl)amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. LogP -2.0 Topological Polar Surface Area 147.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 7 Rotatable Bonds 5 Exact Mass 365.10455 Heavy Atoms 25 Complexity 690.0 InChI Key: QBHQOFVJNUQDCO-GPSKOVRPSA-N. SMILES: COC1=C(N2C(C(C2=O)NC(=O)C(C3C=CCC=C3)N)SC1)C(=O)O.

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