L-Asparaginylglycyl-L-alpha-aspartyl-L-pheylalanyl-L-alpha-glutamyl-L-alpha-glutamyl-L-isoleucyl-L-prolyl-L-alpha-glutamyl-L-alpha-glutamyl-L-tyrosyl-L-leucyl-L-Alanine
[CAS# 135546-61-1]

Identification

• Name: L-Asparaginylglycyl-L-alpha-aspartyl-L-pheylalanyl-L-alpha-glutamyl-L-alpha-glutamyl-L-isoleucyl-L-prolyl-L-alpha-glutamyl-L-alpha-glutamyl-L-tyrosyl-L-leucyl-L-Alanine
• Synonyms: Hirudin 53-64; L-Alanine, L-Asparaginylglycyl-L-Alpha-Aspartyl-L-Pheylalanyl-L-Alpha-Glutamyl-L-Alpha-Glutamyl-L-Isoleucyl-L-Prolyl-L-Alpha-Glutamyl-L-Alpha-Glutamyl-L-Tyrosyl-L-Leucyl-
• Molecular Formula: C₆₈H₉₆N₁₄O₂₆
• Molecular Weight: 1525.58
• CAS Registry Number: 135546-61-1
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](N)CC(=O)N)=O)=O)CC(=O)O)=O)CC2=CC=CC=C2)=O)CCC(=O)O)=O)CCC(=O)O)=O)[C@H](CC)C)=O)=O)CCC(=O)O)=O)CCC(=O)O)=O)CC3=CC=C(O)C=C3)=O)CC(C)C)=O)C
• InChI: 1S/C68H96N14O26/c1-6-34(4)56(81-61(100)43(21-25-54(92)93)75-58(97)40(18-22-51(86)87)76-63(102)45(28-36-11-8-7-9-12-36)80-65(104)47(31-55(94)95)73-50(85)32-71-57(96)39(69)30-49(70)84)67(106)82-26-10-13-48(82)66(105)77-42(20-24-53(90)91)59(98)74-41(19-23-52(88)89)60(99)79-46(29-37-14-16-38(83)17-15-37)64(103)78-44(27-33(2)3)62(101)72-35(5)68(107)108/h7-9,11-12,14-17,33-35,39-48,56,83H,6,10,13,18-32,69H2,1-5H3,(H2,70,84)(H,71,96)(H,72,101)(H,73,85)(H,74,98)(H,75,97)(H,76,102)(H,77,105)(H,78,103)(H,79,99)(H,80,104)(H,81,100)(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H,107,108)/t34-,35-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,56-/m0/s1
• InChIKey: VLFYEJLWSPRLPB-NETUVYTNSA-N

Properties

• Density: 1.387g/cm³ (Cal.)
• Boiling point: 1961.6°C at 760 mmHg (Cal.)
• Flash point: 1140.1°C (Cal.)