6-{[2-(p-chlorophenyl)-N-cyanoacetimidoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3,2,0]heptane-2-carboxylic acid, hydroxymethyl ester, pivalate(ester)

SpectraBase Compound ID	LltcstlrIl2
InChI	InChI=1S/C23H27ClN4O5S/c1-22(2,3)21(31)33-12-32-20(30)17-23(4,5)34-19-16(18(29)28(17)19)27-15(26-11-25)10-13-6-8-14(24)9-7-13/h6-9,16-17,19H,10,12H2,1-5H3,(H,26,27)/t16-,17?,19-/m1/s1
InChIKey	AGSQDFGYWCKZQP-IRQCGSAXSA-N Google Search
Mol Weight	507.01 g/mol
Molecular Formula	C23H27ClN4O5S
Exact Mass	506.139069 g/mol

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SpectraBase Spectrum ID	A2w47cKG7Gv
Name	6-{[2-(p-CHLOROPHENYL)-N-CYANOACETIMIDOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, HYDROXYMETHYL ESTER, PIVALATE (ESTER)
Source of Sample	H. J. PETERSEN, LEO PHARMACEUTICAL PRODUCTS, BALLERUP, DENMARK
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H27ClN4O5S
InChI	InChI=1S/C23H27ClN4O5S/c1-22(2,3)21(31)33-12-32-20(30)17-23(4,5)34-19-16(18(29)28(17)19)27-15(26-11-25)10-13-6-8-14(24)9-7-13/h6-9,16-17,19H,10,12H2,1-5H3,(H,26,27)/t16-,17?,19-/m1/s1
InChIKey	AGSQDFGYWCKZQP-IRQCGSAXSA-N
Literature Reference	J. MED. CHEM. 17, 101(1974)
Melting Point	147-150C
Molecular Weight	507.002014
Synonyms	4-THIA-1-AZABICYCLO/3.2.0/HEPTANE- 2-CARBOXYLIC ACID, 6-//2-/P-CHLORO- PHENYL/-N-CYANOACETIMIDOYL/AMINO/- 3,3-DIMETHYL-7-OXO-, HYDROXYMETHYL ESTER, PIVALATE /ESTER/ PENICILLANIC ACID, 6-//2-/P-CHLORO- PHENYL/-N-CYANOACETIMIDOYL/AMINO/-, HYDROXYMETHYL ESTER, PIVALATE /ESTER/
Technique	KBr WAFER