Biotinyl-Tryptophyl-Leucyl-beta-Alanine
[CAS# 127745-41-9]

Identification

• Name: Biotinyl-Tryptophyl-Leucyl-beta-Alanine
• Synonyms: 3-[[2-[[3-(1H-Indol-3-Yl)-2-[5-(2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl)Pentanoylamino]Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Propanoic Acid; 3-[[2-[[3-(1H-Indol-3-Yl)-1-Oxo-2-[[1-Oxo-5-(2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl)Pentyl]Amino]Propyl]Amino]-4-Methyl-1-Oxopentyl]Amino]Propanoic Acid; 3-[[2-[[3-(1H-Indol-3-Yl)-2-[5-(2-Keto-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl)Pentanoylamino]Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Propionic Acid
• Molecular Formula: C₃₀H₄₂N₆O₆S
• Molecular Weight: 614.76
• CAS Registry Number: 127745-41-9
• SMILES: C1=C(C2=C([NH]1)C=CC=C2)CC(NC(CCCCC3SCC4C3NC(N4)=O)=O)C(=O)NC(CC(C)C)C(=O)NCCC(O)=O
• InChI: 1S/C30H42N6O6S/c1-17(2)13-21(28(40)31-12-11-26(38)39)34-29(41)22(14-18-15-32-20-8-4-3-7-19(18)20)33-25(37)10-6-5-9-24-27-23(16-43-24)35-30(42)36-27/h3-4,7-8,15,17,21-24,27,32H,5-6,9-14,16H2,1-2H3,(H,31,40)(H,33,37)(H,34,41)(H,38,39)(H2,35,36,42)
• InChIKey: WCIFOPWWEKJHQJ-UHFFFAOYSA-N

Properties

• Density: 1.273g/cm³ (Cal.)
• Boiling point: 1070.205°C at 760 mmHg (Cal.)
• Flash point: 601.038°C (Cal.)