(6R,7R)-7-[[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
[CAS# 79120-38-0]

Identification

• Name: (6R,7R)-7-[[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
• Synonyms: (6R,7R)-7-[[3-Hydroxy-2-(4-Hydroxyphenyl)-3-Oxo-Propanoyl]Amino]-7-Methoxy-3-[(1-Methyltetrazol-5-Yl)Sulfanylmethyl]-8-Oxo-5-Oxa-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-7-[[3-Hydroxy-2-(4-Hydroxyphenyl)-1,3-Dioxopropyl]Amino]-7-Methoxy-3-[[(1-Methyl-5-Tetrazolyl)Thio]Methyl]-8-Oxo-5-Oxa-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-7-[[3-Hydroxy-2-(4-Hydroxyphenyl)-3-Keto-Propanoyl]Amino]-8-Keto-7-Methoxy-3-[[(1-Methyltetrazol-5-Yl)Thio]Methyl]-5-Oxa-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₂₀H₂₀N₆O₉S
• Molecular Weight: 520.47
• CAS Registry Number: 79120-38-0
• SMILES: [C@]3([C@@H]2N(C(=C(CSC1=NN=N[N]1C)CO2)C(O)=O)C3=O)(NC(C(C4=CC=C(O)C=C4)C(O)=O)=O)OC
• InChI: 1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/t12?,18-,20+/m1/s1
• InChIKey: JWCSIUVGFCSJCK-CAVRMKNVSA-N

Properties

• Density: 1.8±0.1g/cm³ (Cal.)