L-Lysyl-L-Arginyl-L-Arginyl-L-Tryptophyl-L-Lysyl-L-Lysyl-L-Asparaginyl-L-Phenylalanyl-L-Isoleucyl-L-Alanyl-L-Valinamide
[CAS# 198694-74-5]

Identification

• Name: L-Lysyl-L-Arginyl-L-Arginyl-L-Tryptophyl-L-Lysyl-L-Lysyl-L-Asparaginyl-L-Phenylalanyl-L-Isoleucyl-L-Alanyl-L-Valinamide
• Synonyms: MLCK inhibitor peptide; Myosin Light Chain Kinase Inhibitor
• Molecular Formula: C₆₈H₁₁₂N₂₃O₁₂
• Molecular Weight: 1444.77
• CAS Registry Number: 198694-74-5
• SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)N
• InChI: 1S/C68H113N23O12/c1-6-39(4)55(66(103)82-40(5)57(94)90-54(38(2)3)56(74)93)91-65(102)50(34-41-20-8-7-9-21-41)87-64(101)52(36-53(73)92)89-61(98)47(26-14-17-31-71)84-59(96)46(25-13-16-30-70)86-63(100)51(35-42-37-81-45-24-11-10-22-43(42)45)88-62(99)49(28-19-33-80-68(77)78)85-60(97)48(27-18-32-79-67(75)76)83-58(95)44(72)23-12-15-29-69/h7-11,20-22,24,37-40,44,46-52,54-55,81H,6,12-19,23,25-36,69-72H2,1-5H3,(H2,73,92)(H2,74,93)(H,82,103)(H,83,95)(H,84,96)(H,85,97)(H,86,100)(H,87,101)(H,88,99)(H,89,98)(H,90,94)(H,91,102)(H4,75,76,79)(H4,77,78,80)/t39-,40-,44-,46-,47-,48-,49-,50-,51-,52-,54-,55-/m0/s1
• InChIKey: LDIFTFCANVUAPM-QOFFQMATSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Refractive index: 1.654 (Cal.)
• solubility: Soluble to 1 mg/ml in water