beta-Neuroprotectin
[CAS# 127634-29-1]

Identification

• Name: beta-Neuroprotectin
• Synonyms: (3S)-3-[[(2R)-2-Aminopropanoyl]Amino]-4-[[(1S)-1-[[(1S,2S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-Carbamoyl-3-Methyl-Butyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Amino]-1-Methyl-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Butyl]Carbamoyl]-3-Methyl-Butyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-[[(2R)-2-Amino-1-Oxopropyl]Amino]-4-[[(1S)-1-[[[(1S,2S)-1-[[[(1S)-2-[[(1S)-2-[[(1S)-1-Carbamoyl-3-Methylbutyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-1-Methyl-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylbutyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-4-Oxobutanoic Acid; (3S)-3-(Alanylamino)-4-[[(1S)-1-[[(1S,2S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-Carbamoyl-3-Methyl-Butyl]Amino]-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Amino]-2-Keto-1-Methyl-Ethyl]Carbamoyl]-2-Methyl-Butyl]Carbamoyl]-3-Methyl-Butyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₃₇H₆₀N₈O₁₀
• Molecular Weight: 776.93
• CAS Registry Number: 127634-29-1
• SMILES: [C@H](C(=O)N)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](N)C)=O)CC(=O)O)=O)CC(C)C)=O)[C@H](CC)C)=O)C)=O)CC1=CC=C(O)C=C1)=O)CC(C)C
• InChI: 1S/C37H60N8O10/c1-9-20(6)30(45-36(54)26(15-19(4)5)44-35(53)28(17-29(47)48)42-32(50)21(7)38)37(55)40-22(8)33(51)43-27(16-23-10-12-24(46)13-11-23)34(52)41-25(31(39)49)14-18(2)3/h10-13,18-22,25-28,30,46H,9,14-17,38H2,1-8H3,(H2,39,49)(H,40,55)(H,41,52)(H,42,50)(H,43,51)(H,44,53)(H,45,54)(H,47,48)/t20-,21+,22-,25-,26-,27-,28-,30-/m0/s1
• InChIKey: OOPCKMOYWNFHCN-ZVTNDOQBSA-N

Properties

• Density: 1.218g/cm³ (Cal.)
• Boiling point: 1181.573°C at 760 mmHg (Cal.)
• Flash point: 668.392°C (Cal.)