4-[(6-Amino-4-Hydroxy-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# 145585-98-4]

Identification

• Name: 4-[(6-Amino-4-Hydroxy-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-4-Hydroxy-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-4-Hydroxy-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-4-Hydroxy-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: C₂₀H₂₉Cl₃N₄O₉
• Molecular Weight: 575.83
• CAS Registry Number: 145585-98-4
• 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)C(O)C
• InChI: 1S/C20H29Cl3N4O9/c1-6(28)2-10(21)20(23)12(14(22)19(35)36)13(20)17(33)26-8(4-11(30)31)16(32)27-15-9(29)3-7(24)5-25-18(15)34/h6-10,12-15,28-29H,2-5,24H2,1H3,(H,25,34)(H,26,33)(H,27,32)(H,30,31)(H,35,36)
• InChIKey: BCPPKCDYZCXCGK-UHFFFAOYSA-N

Properties

• Density: 1.603g/cm³ (Cal.)
• Boiling point: 1045.132°C at 760 mmHg (Cal.)
• Flash point: 585.875°C (Cal.)