(4R,5S,6S)-6-(1-Hydroxyethyl)-3-[(3S,5S)-5-[(1R)-1-Hydroxy-3-Methylaminopropyl]Pyrrolidin-3-Yl]Sulfanyl-4-Methyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
[CAS# 149951-16-6]

Identification

• Name: (4R,5S,6S)-6-(1-Hydroxyethyl)-3-[(3S,5S)-5-[(1R)-1-Hydroxy-3-Methylaminopropyl]Pyrrolidin-3-Yl]Sulfanyl-4-Methyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
• Synonyms: (4R,5S,6S)-6-(1-Hydroxyethyl)-3-[(3S,5S)-5-[(1R)-1-Hydroxy-3-Methylamino-Propyl]Pyrrolidin-3-Yl]Sulfanyl-4-Methyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; (4R,5S,6S)-6-(1-Hydroxyethyl)-3-[[(3S,5S)-5-[(1R)-1-Hydroxy-3-Methylaminopropyl]-3-Pyrrolidinyl]Thio]-4-Methyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; (4R,5S,6S)-6-(1-Hydroxyethyl)-3-[[(3S,5S)-5-[(1R)-1-Hydroxy-3-Methylamino-Propyl]Pyrrolidin-3-Yl]Thio]-7-Keto-4-Methyl-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₈H₂₉N₃O₅S
• Molecular Weight: 399.50
• CAS Registry Number: 149951-16-6
• SMILES: [C@H]13N(C(=O)[C@@H]1[C@H](O)C)C(=C(S[C@H]2C[C@H](NC2)[C@H](O)CCNC)[C@@H]3C)C(=O)O
• InChI: 1S/C18H29N3O5S/c1-8-14-13(9(2)22)17(24)21(14)15(18(25)26)16(8)27-10-6-11(20-7-10)12(23)4-5-19-3/h8-14,19-20,22-23H,4-7H2,1-3H3,(H,25,26)/t8-,9-,10+,11+,12-,13-,14-/m1/s1
• InChIKey: PZLOCBSBEUDCPF-YJIVIRPOSA-N

Properties

• Density: 1.391g/cm³ (Cal.)
• Boiling point: 636.817°C at 760 mmHg (Cal.)
• Flash point: 338.935°C (Cal.)