Diethyl[2-(2-methoxyphenoxy)-2-oxoethyl]ammonium [2S-[2alpha,5alpha,6beta(S*)]]-6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
[CAS# 34205-43-1]

Identification

• Name: Diethyl[2-(2-methoxyphenoxy)-2-oxoethyl]ammonium [2S-[2alpha,5alpha,6beta(S*)]]-6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
• Synonyms: (2S,5R,6R)-6-[(2-Amino-2-Phenyl-Acetyl)Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2-Methoxyphenyl) 2-Diethylaminoacetate; (2S,5R,6R)-6-[(2-Amino-1-Oxo-2-Phenylethyl)Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; 2-Diethylaminoacetic Acid (2-Methoxyphenyl) Ester; (2S,5R,6R)-6-[(2-Amino-2-Phenyl-Acetyl)Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; 2-Diethylaminoacetic Acid (2-Methoxyphenyl) Ester
• Molecular Formula: C₂₉H₃₈N₄O₇S
• Molecular Weight: 586.70
• CAS Registry Number: 34205-43-1
• EINECS: 251-881-5
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C(N)C3=CC=CC=C3)C(O)=O)(C)C.C4=CC=CC(=C4OC(=O)CN(CC)CC)OC
• InChI: 1S/C16H19N3O4S.C13H19NO3/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;1-4-14(5-2)10-13(15)17-12-9-7-6-8-11(12)16-3/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);6-9H,4-5,10H2,1-3H3/t9?,10-,11+,14-;/m1./s1
• InChIKey: JDQUEPLGGGBJGG-GJUCOGTPSA-N

Properties

• Boiling point: 683.9°C at 760 mmHg (Cal.)
• Flash point: 367.4°C (Cal.)