N-Acetyl-L-alpha-Aspartyl-L-Phenylalanyl-L-alpha-Glutamyl-L-alpha-Glutamyl-L-Isoleucyl-L-Prolyl-L-alpha-Glutamyl-L-alpha-Glutamyl-L-Tyrosyl-L-Leucyl-L-Glutamine
[CAS# 113274-57-0]

Identification

• Name: N-Acetyl-L-alpha-Aspartyl-L-Phenylalanyl-L-alpha-Glutamyl-L-alpha-Glutamyl-L-Isoleucyl-L-Prolyl-L-alpha-Glutamyl-L-alpha-Glutamyl-L-Tyrosyl-L-Leucyl-L-Glutamine
• Synonyms: AC-ASP-PHE-GLU-GLU-ILE-PRO-GLU-GLU-TYR-LEU-GLN-OH
• Molecular Formula: C₆₆H₉₂N₁₂O₂₅
• Molecular Weight: 1453.50
• CAS Registry Number: 113274-57-0
• SMILES: O=C(N)CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(=O)O)Cc1ccccc1)CCC(=O)O)CCC(=O)O)[C@@H](C)CC)CCC2)CCC(=O)O)CCC(=O)O)Cc3ccc(O)cc3)CC(C)C)C(=O)O
• InChI: 1S/C66H92N12O25/c1-6-34(4)55(77-59(95)42(22-27-53(88)89)70-56(92)39(19-24-50(82)83)71-61(97)45(30-36-11-8-7-9-12-36)76-63(99)47(32-54(90)91)68-35(5)79)65(101)78-28-10-13-48(78)64(100)72-41(21-26-52(86)87)57(93)69-40(20-25-51(84)85)58(94)75-46(31-37-14-16-38(80)17-15-37)62(98)74-44(29-33(2)3)60(96)73-43(66(102)103)18-23-49(67)81/h7-9,11-12,14-17,33-34,39-48,55,80H,6,10,13,18-32H2,1-5H3,(H2,67,81)(H,68,79)(H,69,93)(H,70,92)(H,71,97)(H,72,100)(H,73,96)(H,74,98)(H,75,94)(H,76,99)(H,77,95)(H,82,83)(H,84,85)(H,86,87)(H,88,89)(H,90,91)(H,102,103)/t34-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,55-/m0/s1
• InChIKey: IEAUQSWIFZNYCL-XALAVQSDSA-N

Properties

• Density: 1.375g/cm³ (Cal.)
• Boiling point: 1899.6°C at 760 mmHg (Cal.)
• Flash point: 1102.6°C (Cal.)
• Refractive index: 1.582 (Cal.)