Moxalactam diammonium

azane;(6R,7R)-7-[[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Also Known As: Moxalactam diammonium|Diammonium salt of moxalactam|5-Oxa-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((carboxy(4-hydroxyphenyl)acetyl)amino)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, diammonium salt, (6R-(6alpha,7alpha,7(R*)))-|(6R,7R)-7-{[(2R)-2-Carboxy-1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino}-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid--ammonia (1/2)|7-{[2-Carboxy-1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino}-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid--ammonia (1/2)|azane; (6R,7R)-7-[[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|azane; (6R,7R)-7-[[(2R)-3-hydroxy-2-(4-hydroxyphenyl)-3-oxopropanoyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Molecular Formula	C20H26N8O9S
Molecular Weight	554.15436 g/mol
LogP	-0.8037
Topological Polar Surface Area	276.3 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	13
Rotatable Bonds	9
Exact Mass	554.15436
Monoisotopic Mass	554.15436
Heavy Atoms	38
Complexity	1267.4379

Chemical Identifiers

CAS Number	77121-76-7
SMILES	CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)[C@@H](C4=CC=C(C=C4)O)C(=O)O)OC)OC2)C(=O)O.N.N