Calpain Inhibitor Peptide
[CAS# 128578-18-7]

Identification

• Name: Calpain Inhibitor Peptide
• Synonyms: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-{[1-(15-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-2-carbamoyl-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-hydroxyethyl]carbamoyl}pentadecanoyl)pyrrolidin-2-yl]formamido}butanamido]-3-methylpentanamido]-3-hydroxybutanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid; Calpain Inhibitor Peptide
• Molecular Formula: C₇₉H₁₂₂N₁₄O₂₀
• Molecular Weight: 1587.90
• CAS Registry Number: 128578-18-7
• SMILES: CCC(C)[C@@H](C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)C3CCCN3C(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc4ccccc4)C(=O)O
• InChI: 1S/C79H122N14O20/c1-9-47(6)66(75(107)92-68(49(8)96)77(109)87-56(39-46(4)5)71(103)89-59(79(112)113)41-51-43-82-53-31-26-25-30-52(51)53)90-69(101)54(35-36-62(80)97)84-74(106)61-32-27-37-93(61)65(100)34-24-19-17-15-13-11-10-12-14-16-18-23-33-64(99)83-60(44-94)73(105)91-67(48(7)95)76(108)86-55(38-45(2)3)70(102)85-57(42-63(81)98)72(104)88-58(78(110)111)40-50-28-21-20-22-29-50/h20-22,25-26,28-31,43,45-49,54-61,66-68,82,94-96H,9-19,23-24,27,32-42,44H2,1-8H3,(H2,80,97)(H2,81,98)(H,83,99)(H,84,106)(H,85,102)(H,86,108)(H,87,109)(H,88,104)(H,89,103)(H,90,101)(H,91,105)(H,92,107)(H,110,111)(H,112,113)/t47?,48?,49?,54-,55-,56-,57-,58-,59-,60-,61?,66-,67-,68-/m0/s1
• InChIKey: UQZSRXKGTRJJPI-JTGOSLMDSA-N

Properties

• Density: 1.252g/cm³ (Cal.)
• Boiling point: 1783.462°C at 760 mmHg (Cal.)
• Flash point: 1032.4°C (Cal.)
• Refractive index: 1.57 (Cal.)