(2S,5S,6R)-3-(2-Aminoethylsulfanyl)-6-(1-Hydroxyethyl)-7-Oxo-1-Azabicyclo[3.2.0]Hept-3-Ene-2-Carboxylic Acid
[CAS# 77171-32-5]

Identification

• Name: (2S,5S,6R)-3-(2-Aminoethylsulfanyl)-6-(1-Hydroxyethyl)-7-Oxo-1-Azabicyclo[3.2.0]Hept-3-Ene-2-Carboxylic Acid
• Synonyms: (2S,5S,6R)-3-(2-Aminoethylthio)-6-(1-Hydroxyethyl)-7-Oxo-1-Azabicyclo[3.2.0]Hept-3-Ene-2-Carboxylic Acid; (2S,5S,6R)-3-(2-Aminoethylthio)-6-(1-Hydroxyethyl)-7-Keto-1-Azabicyclo[3.2.0]Hept-3-Ene-2-Carboxylic Acid; Delta1-Thienamycin
• Molecular Formula: C₁₁H₁₆N₂O₄S
• Molecular Weight: 272.32
• CAS Registry Number: 77171-32-5
• SMILES: [C@H]1(N2[C@H](C=C1SCCN)[C@H]([C@@H](C)O)C2=O)C(=O)O
• InChI: 1S/C11H16N2O4S/c1-5(14)8-6-4-7(18-3-2-12)9(11(16)17)13(6)10(8)15/h4-6,8-9,14H,2-3,12H2,1H3,(H,16,17)/t5-,6-,8+,9-/m1/s1
• InChIKey: DZZINIRDDHWAGH-MTSNSDSCSA-N