[2S-[2alpha,5alpha,6beta[S*(E)]]]-6-[[[[[3-[(2-Furanylmethylene)Amino]-2-Oxo-1-Imidazolidinyl]Carbonyl]Amino](4-Hydroxyphenyl)Acetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid Monosodium Salt
[CAS# 61835-48-1]

Identification

• Name: [2S-[2alpha,5alpha,6beta[S*(E)]]]-6-[[[[[3-[(2-Furanylmethylene)Amino]-2-Oxo-1-Imidazolidinyl]Carbonyl]Amino](4-Hydroxyphenyl)Acetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid Monosodium Salt
• Synonyms: (2S,5R,6R)-6-[[(2R)-2-[[3-(2-Furylmethyleneamino)-2-Oxo-Imidazolidine-1-Carbonyl]Amino]-2-(4-Hydroxyphenyl)Acetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[(2R)-2-[[[3-(2-Furylmethyleneamino)-2-Oxo-1-Imidazolidinyl]-Oxomethyl]Amino]-2-(4-Hydroxyphenyl)-1-Oxoethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[(2R)-2-[[3-(2-Furylmethyleneamino)-2-Keto-Imidazolidine-1-Carbonyl]Amino]-2-(4-Hydroxyphenyl)Acetyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₂₅H₂₆N₆O₈S
• Molecular Weight: 570.58
• CAS Registry Number: 61835-48-1 (66327-51-3)
• EINECS: 263-267-4
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N4C(=O)N(\N=C\C3=CC=CO3)CC4)C5=CC=C(O)C=C5)C(=O)O)(C)C
• InChI: 1S/C25H26N6O8S/c1-25(2)18(22(35)36)31-20(34)17(21(31)40-25)27-19(33)16(13-5-7-14(32)8-6-13)28-23(37)29-9-10-30(24(29)38)26-12-15-4-3-11-39-15/h3-8,11-12,16-18,21,32H,9-10H2,1-2H3,(H,27,33)(H,28,37)(H,35,36)/b26-12+/t16-,17-,18+,21-/m1/s1
• InChIKey: YSUBQYRZZFVMTL-YNDGFOBUSA-N

Properties

• Density: 1.66g/cm³ (Cal.)