4-[(6-Amino-2-Oxoazepan-3-Yl)Amino]-3-[[2-Chloro-2-(1-Chloro-3-Hydroxybutyl)-3-(1-Chloro-2-Hydroxy-2-Oxoethyl)Cyclopropanecarbonyl]Amino]-4-Oxobutanoic Acid
[CAS# 145586-00-1]

Identification

• Name: 4-[(6-Amino-2-Oxoazepan-3-Yl)Amino]-3-[[2-Chloro-2-(1-Chloro-3-Hydroxybutyl)-3-(1-Chloro-2-Hydroxy-2-Oxoethyl)Cyclopropanecarbonyl]Amino]-4-Oxobutanoic Acid
• Synonyms: 4-[(6-Amino-2-Oxo-Azepan-3-Yl)Amino]-3-[[2-Chloro-2-(1-Chloro-3-Hydroxy-Butyl)-3-(1-Chloro-2-Hydroxy-2-Oxo-Ethyl)Cyclopropanecarbonyl]Amino]-4-Oxo-Butanoic Acid; 4-[(6-Amino-2-Oxo-3-Azepanyl)Amino]-3-[[[2-Chloro-2-(1-Chloro-3-Hydroxybutyl)-3-(1-Chloro-2-Hydroxy-2-Oxoethyl)Cyclopropyl]-Oxomethyl]Amino]-4-Oxobutanoic Acid; 4-[(6-Amino-2-Keto-Azepan-3-Yl)Amino]-3-[[2-Chloro-2-(1-Chloro-3-Hydroxy-Butyl)-3-(1-Chloro-2-Hydroxy-2-Keto-Ethyl)Cyclopropanecarbonyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₂₀H₂₉Cl₃N₄O₈
• Molecular Weight: 559.83
• CAS Registry Number: 145586-00-1
• SMILES: C(C(Cl)C1(Cl)C(C1C(=O)NC(C(=O)NC2C(=O)NCC(N)CC2)CC(=O)O)C(Cl)C(=O)O)C(O)C
• InChI: 1S/C20H29Cl3N4O8/c1-7(28)4-11(21)20(23)13(15(22)19(34)35)14(20)18(33)27-10(5-12(29)30)17(32)26-9-3-2-8(24)6-25-16(9)31/h7-11,13-15,28H,2-6,24H2,1H3,(H,25,31)(H,26,32)(H,27,33)(H,29,30)(H,34,35)
• InChIKey: NFVKVZRRCAVLMX-UHFFFAOYSA-N

Properties

• Density: 1.549g/cm³ (Cal.)
• Boiling point: 999.656°C at 760 mmHg (Cal.)
• Flash point: 558.372°C (Cal.)