(2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[[2-Phenyl-2-[[(2E)-2-[(4-Propoxybenzoyl)Hydrazinylidene]Acetyl]Amino]Acetyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
[CAS# 143729-84-4]

Identification

• Name: (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[[2-Phenyl-2-[[(2E)-2-[(4-Propoxybenzoyl)Hydrazinylidene]Acetyl]Amino]Acetyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Synonyms: (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[[2-Phenyl-2-[[(2E)-2-[(4-Propoxybenzoyl)Hydrazono]Acetyl]Amino]Acetyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[[1-Oxo-2-[[(2E)-1-Oxo-2-[[Oxo-(4-Propoxyphenyl)Methyl]Hydrazono]Ethyl]Amino]-2-Phenylethyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-7-Keto-3,3-Dimethyl-6-[[2-Phenyl-2-[[(2E)-2-[(4-Propoxybenzoyl)Hydrazono]Acetyl]Amino]Acetyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₂₈H₃₁N₅O₇S
• Molecular Weight: 581.64
• CAS Registry Number: 143729-84-4
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C(NC(=O)/C=N/NC(=O)C3=CC=C(OCCC)C=C3)C4=CC=CC=C4)C(=O)O)(C)C
• InChI: 1S/C28H31N5O7S/c1-4-14-40-18-12-10-17(11-13-18)23(35)32-29-15-19(34)30-20(16-8-6-5-7-9-16)24(36)31-21-25(37)33-22(27(38)39)28(2,3)41-26(21)33/h5-13,15,20-22,26H,4,14H2,1-3H3,(H,30,34)(H,31,36)(H,32,35)(H,38,39)/b29-15+/t20?,21-,22+,26-/m1/s1
• InChIKey: NNEUNFNJALHRCG-FIZVSFIFSA-N

Properties

• Density: 1.434g/cm³ (Cal.)