(2S,5R,6R)-3,3-Dimethyl-6-[[(R)-[[(4-Methyl-2,3-Dioxopiperazin-1-Yl)Carbonyl]Amino]Phenylacetyl]Amino]-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
[CAS# 59723-60-3]

Identification

• Name: (2S,5R,6R)-3,3-Dimethyl-6-[[(R)-[[(4-Methyl-2,3-Dioxopiperazin-1-Yl)Carbonyl]Amino]Phenylacetyl]Amino]-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Synonyms: (2S,5R,6R)-3,3-Dimethyl-6-[[2-[(4-Methyl-2,3-Dioxo-Piperazine-1-Carbonyl)Amino]-2-Phenyl-Acetyl]Amino]-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-3,3-Dimethyl-6-[[2-[[(4-Methyl-2,3-Dioxo-1-Piperazinyl)-Oxomethyl]Amino]-1-Oxo-2-Phenylethyl]Amino]-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[2-[(2,3-Diketo-4-Methyl-Piperazine-1-Carbonyl)Amino]-2-Phenyl-Acetyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₂₂H₂₅N₅O₇S
• Molecular Weight: 503.53
• CAS Registry Number: 59723-60-3
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C(NC(=O)N3C(=O)C(=O)N(CC3)C)C4=CC=CC=C4)C(=O)O)(C)C
• InChI: 1S/C22H25N5O7S/c1-22(2)14(20(32)33)27-16(29)13(19(27)35-22)23-15(28)12(11-7-5-4-6-8-11)24-21(34)26-10-9-25(3)17(30)18(26)31/h4-8,12-14,19H,9-10H2,1-3H3,(H,23,28)(H,24,34)(H,32,33)/t12?,13-,14+,19-/m1/s1
• InChIKey: JVLJGXUDTPNXKM-YXAHYYACSA-N

Properties

• Density: 1.552g/cm³ (Cal.)