BMS-247243

cas: 307316-55-8 — see every product listed under this CAS number, including other names

BMS-247243 (CAS 307316-55-8) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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Structural formula: {0} (CAS {1})

(6R,7R)-7-[[2-[4-[(E)-3-(carboxylatomethylamino)-3-oxoprop-1-enyl]-2,5-dichlorophenyl]sulfanylacetyl]amino]-3-[[2,6-dimethyl-1-[3-(4-methylmorpholin-4-ium-4-yl)propyl]pyridin-1-ium-4-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS 307316-55-8) is a chemical compound with the molecular formula C36H41Cl2N5O8S3 and a molecular weight of 838.8 g/mol. IUPAC name: (6R,7R)-7-[[2-[4-[(E)-3-(carboxylatomethylamino)-3-oxoprop-1-enyl]-2,5-dichlorophenyl]sulfanylacetyl]amino]-3-[[2,6-dimethyl-1-[3-(4-methylmorpholin-4-ium-4-yl)propyl]pyridin-1-ium-4-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate. InChIKey: MOYDKLWHWUTKTI-LDCQLTLFSA-N.

Identity
Molecular formulaC36H41Cl2N5O8S3
Molecular weight838.8 g/mol
IUPAC name(6R,7R)-7-[[2-[4-[(E)-3-(carboxylatomethylamino)-3-oxoprop-1-enyl]-2,5-dichlorophenyl]sulfanylacetyl]amino]-3-[[2,6-dimethyl-1-[3-(4-methylmorpholin-4-ium-4-yl)propyl]pyridin-1-ium-4-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
InChIKeyMOYDKLWHWUTKTI-LDCQLTLFSA-N
SMILESCC1=CC(=CC(=[N+]1CCC[N+]2(CCOCC2)C)C)SCC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)CSC5=C(C=C(C(=C5)Cl)/C=C/C(=O)NCC(=O)[O-])Cl)SC3)C(=O)[O-]

Computed by PubChem (NCBI)

Synonyms: orb1698101

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