4-[(6-Amino-4-Hydroxy-2-Oxoazepan-3-Yl)Amino]-3-[[2-Chloro-2-(1-Chlorobutyl)-3-(1-Chloro-2-Hydroxy-2-Oxoethyl)Cyclopropanecarbonyl]Amino]-4-Oxobutanoic Acid
[CAS# 145585-99-5]

Identification

• Name: 4-[(6-Amino-4-Hydroxy-2-Oxoazepan-3-Yl)Amino]-3-[[2-Chloro-2-(1-Chlorobutyl)-3-(1-Chloro-2-Hydroxy-2-Oxoethyl)Cyclopropanecarbonyl]Amino]-4-Oxobutanoic Acid
• Synonyms: 4-[(6-Amino-4-Hydroxy-2-Oxo-Azepan-3-Yl)Amino]-3-[[2-Chloro-2-(1-Chlorobutyl)-3-(1-Chloro-2-Hydroxy-2-Oxo-Ethyl)Cyclopropanecarbonyl]Amino]-4-Oxo-Butanoic Acid; 4-[(6-Amino-4-Hydroxy-2-Oxo-3-Azepanyl)Amino]-3-[[[2-Chloro-2-(1-Chlorobutyl)-3-(1-Chloro-2-Hydroxy-2-Oxoethyl)Cyclopropyl]-Oxomethyl]Amino]-4-Oxobutanoic Acid; 4-[(6-Amino-4-Hydroxy-2-Keto-Azepan-3-Yl)Amino]-3-[[2-Chloro-2-(1-Chlorobutyl)-3-(1-Chloro-2-Hydroxy-2-Keto-Ethyl)Cyclopropanecarbonyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₂₀H₂₉Cl₃N₄O₈
• Molecular Weight: 559.83
• CAS Registry Number: 145585-99-5
• SMILES: C(C(Cl)C1(Cl)C(C1C(=O)NC(C(=O)NC2C(O)CC(N)CNC2=O)CC(=O)O)C(Cl)C(=O)O)CC
• InChI: 1S/C20H29Cl3N4O8/c1-2-3-10(21)20(23)12(14(22)19(34)35)13(20)17(32)26-8(5-11(29)30)16(31)27-15-9(28)4-7(24)6-25-18(15)33/h7-10,12-15,28H,2-6,24H2,1H3,(H,25,33)(H,26,32)(H,27,31)(H,29,30)(H,34,35)
• InChIKey: RSMNHRRWERNDLZ-UHFFFAOYSA-N

Properties

• Density: 1.549g/cm³ (Cal.)
• Boiling point: 983.338°C at 760 mmHg (Cal.)
• Flash point: 548.503°C (Cal.)