(6R,7S)-7-[[(5R)-5-Amino-6-Hydroxy-6-Oxohexanoyl]Amino]-3-(Carbamoyloxymethyl)-7-Methoxy-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
[CAS# 34279-51-1]

Identification

• Name: (6R,7S)-7-[[(5R)-5-Amino-6-Hydroxy-6-Oxohexanoyl]Amino]-3-(Carbamoyloxymethyl)-7-Methoxy-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Synonyms: (6R,7S)-7-[[(5R)-5-Amino-6-Hydroxy-6-Oxo-Hexanoyl]Amino]-3-(Carbamoyloxymethyl)-7-Methoxy-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7S)-7-[[(5R)-5-Amino-6-Hydroxy-1,6-Dioxohexyl]Amino]-3-(Carbamoyloxymethyl)-7-Methoxy-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7S)-7-[[(5R)-5-Amino-6-Hydroxy-6-Keto-Hexanoyl]Amino]-3-(Carbamoyloxymethyl)-8-Keto-7-Methoxy-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₆H₂₂N₄O₉S
• Molecular Weight: 446.43
• CAS Registry Number: 34279-51-1
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@@]2(OC)NC(=O)CCC[C@@H](N)C(=O)O)C(=O)O)COC(=O)N
• InChI: 1S/C16H22N4O9S/c1-28-16(19-9(21)4-2-3-8(17)11(22)23)13(26)20-10(12(24)25)7(5-29-15(18)27)6-30-14(16)20/h8,14H,2-6,17H2,1H3,(H2,18,27)(H,19,21)(H,22,23)(H,24,25)/t8-,14-,16+/m1/s1
• InChIKey: LXWBXEWUSAABOA-VXSYNFHWSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 898.2±65.0°C at 760 mmHg (Cal.)
• Flash point: 497.0±34.3°C (Cal.)