5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-8-oxo-, zinc salt (1:1), (6R,7R)-

C₁₆H₁₉N₃O₈SZnCAS 59143-60-1478.78 g/mol

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Alkene Amide Carboxylic acid Ester Lactam Primary amine Sulfide

Properties

Molecular formula: C₁₆H₁₉N₃O₈SZn
Molar mass: 478.78 g/mol
Exact mass: 477.0184 Da
logP: -0.29Crippen estimate
Polar surface area: 179.8 Å²
H-bond donors / acceptors: 4 / 8
Rotatable bonds: 9
Stereocentres: R, R, Rin SMILES atom order

Identifiers

CAS number

59143-60-1

SMILES

CC(=O)OCC=1CS[C@@H]2[C@H](NC(=O)CCC[C@@H](N)C([O-])=O)C(=O)N2C1C([O-])=O.[Zn+2]

InChIKey

MGNGNKZZUPFEAN-OOARYINLSA-N

InChI

InChI=1S/C16H21N3O8S.Zn/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24;/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26);/t9-,11-,14-;/m1./s1

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Names and synonyms

1 names

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[(5-amino-5-carboxy-1-oxopentyl)amino]-8-oxo-, zinc salt (1:1), [6R-[6α,7β(R*)]]-

Work with 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-8-oxo-, zinc salt (1:1), (6R,7R)-

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