(2S)-6-[3-[(2-Bromoacetyl)Amino]Propanoylamino]-2-[(2-Methylpropan-2-Yl)Oxycarbonylamino]Hexanoic Acid
[CAS# 137233-78-4]

Identification

• Name: (2S)-6-[3-[(2-Bromoacetyl)Amino]Propanoylamino]-2-[(2-Methylpropan-2-Yl)Oxycarbonylamino]Hexanoic Acid
• Synonyms: (2S)-6-[3-[(2-Bromoacetyl)Amino]Propanoylamino]-2-(Tert-Butoxycarbonylamino)Hexanoic Acid; (2S)-6-[[3-[(2-Bromo-1-Oxoethyl)Amino]-1-Oxopropyl]Amino]-2-[(Tert-Butoxy-Oxomethyl)Amino]Hexanoic Acid; (2S)-6-[3-(2-Bromoethanoylamino)Propanoylamino]-2-[(2-Methylpropan-2-Yl)Oxycarbonylamino]Hexanoic Acid
• Molecular Formula: C₁₆H₂₈BrN₃O₆
• Molecular Weight: 438.32
• CAS Registry Number: 137233-78-4
• SMILES: [C@@H](NC(OC(C)(C)C)=O)(C(=O)O)CCCCNC(=O)CCNC(=O)CBr
• InChI: 1S/C16H28BrN3O6/c1-16(2,3)26-15(25)20-11(14(23)24)6-4-5-8-18-12(21)7-9-19-13(22)10-17/h11H,4-10H2,1-3H3,(H,18,21)(H,19,22)(H,20,25)(H,23,24)/t11-/m0/s1
• InChIKey: IKPIZWZTKBGLDF-NSHDSACASA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 704.062°C at 760 mmHg (Cal.)
• Flash point: 379.603°C (Cal.)