L-Valyl-D-Lysyl-D-Phenylalanylglycyl-L-Valylglycyl-D-Phenylalanyl-L-Lysyl-D-Valyl-L-Methionyl-L-Valyl-D-Phenylalanine
[CAS# 261969-04-4]

Identification

• Name: L-Valyl-D-Lysyl-D-Phenylalanylglycyl-L-Valylglycyl-D-Phenylalanyl-L-Lysyl-D-Valyl-L-Methionyl-L-Valyl-D-Phenylalanine
• Synonyms: Calcium-like peptide 2; D-Phenylalanine, L-valyl-D-lysyl-D-phenylalanylglycyl-L-valylglycyl-D-phenylalanyl-L-lysyl-D-valyl-L-methionyl-L-valyl-
• Molecular Formula: C₆₈H₁₀₄N₁₄O₁₃S
• Molecular Weight: 1357.70
• CAS Registry Number: 261969-04-4
• SMILES: CC(C)[C@@H](C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc3ccccc3)C(=O)O)N
• InChI: 1S/C68H104N14O13S/c1-40(2)55(71)64(90)76-47(29-19-21-32-69)60(86)78-50(35-44-23-13-10-14-24-44)59(85)72-39-54(84)80-56(41(3)4)65(91)73-38-53(83)74-51(36-45-25-15-11-16-26-45)63(89)75-48(30-20-22-33-70)61(87)81-57(42(5)6)66(92)77-49(31-34-96-9)62(88)82-58(43(7)8)67(93)79-52(68(94)95)37-46-27-17-12-18-28-46/h10-18,23-28,40-43,47-52,55-58H,19-22,29-39,69-71H2,1-9H3,(H,72,85)(H,73,91)(H,74,83)(H,75,89)(H,76,90)(H,77,92)(H,78,86)(H,79,93)(H,80,84)(H,81,87)(H,82,88)(H,94,95)/t47-,48+,49+,50-,51-,52-,55+,56+,57-,58+/m1/s1
• InChIKey: ODWOEJYNFFTQOH-KKGGCKIFSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 1602.4±65.0°C at 760 mmHg (Cal.)
• Flash point: 922.9±34.3°C (Cal.)
• Refractive index: 1.565 (Cal.)