sodium (6R,7R)-7-{[(formyloxy)(phenyl)acetyl]amino}-3-{[(1-methyl-1H-tetraazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

SpectraBase Compound ID	jdbDUrnWyB
InChI	InChI=1S/C19H18N6O6S2.Na/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10;/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30);/q;+1/p-1
InChIKey	ICZOIXFFVKYXOM-UHFFFAOYSA-M Google Search
Mol Weight	512.49 g/mol
Molecular Formula	C19H17N6NaO6S2
Exact Mass	512.054869 g/mol

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SpectraBase Spectrum ID	6LA9CK3D2Bi
Name	sodium (6R,7R)-7-{[(formyloxy)(phenyl)acetyl]amino}-3-{[(1-methyl-1H-tetraazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C19H18N6O6S2.Na/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10;/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30);/q;+1/p-1
InChIKey	ICZOIXFFVKYXOM-UHFFFAOYSA-M
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_2163
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: 600291MIAZ2-046; Labnumber: 600291MIAZ2-046; VK_ID: VK-002164
Synonyms	sodium 7-{[(formyloxy)(phenyl)acetyl]amino}-3-{[(1-methyl-1H-tetraazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Temperature	318 °C