beta-Endorphin (2-9)
[CAS# 79924-62-2]

Identification

• Name: beta-Endorphin (2-9)
• Synonyms: (2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-(Glycylamino)Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-5-Hydroxy-5-Keto-Pentanoyl]Amino]Hexanoic Acid; (2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-Aminoacetyl)Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Amino]Hexanoic Acid; (2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-Amino-1-Oxoethyl)Amino]-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-4-(Methylthio)-1-Oxobutyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-5-Hydroxy-1,5-Dioxopentyl]Amino]Hexanoic Acid
• Molecular Formula: C₃₆H₅₇N₉O₁₃S
• Molecular Weight: 855.96
• CAS Registry Number: 79924-62-2
• SMILES: [C@@H](NC(CNC(CN)=O)=O)(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCCN)CCC(=O)O)CO)[C@H](O)C)CCSC)CC1=CC=CC=C1
• InChI: 1S/C36H57N9O13S/c1-20(47)30(35(56)44-26(19-46)34(55)41-22(11-12-29(50)51)31(52)43-24(36(57)58)10-6-7-14-37)45-32(53)23(13-15-59-2)42-33(54)25(16-21-8-4-3-5-9-21)40-28(49)18-39-27(48)17-38/h3-5,8-9,20,22-26,30,46-47H,6-7,10-19,37-38H2,1-2H3,(H,39,48)(H,40,49)(H,41,55)(H,42,54)(H,43,52)(H,44,56)(H,45,53)(H,50,51)(H,57,58)/t20-,22+,23+,24+,25+,26+,30+/m1/s1
• InChIKey: BSXRSZNOGAFXQD-PAVUUCRMSA-N

Properties

• Density: 1.35g/cm³ (Cal.)
• Boiling point: 1404.066°C at 760 mmHg (Cal.)
• Flash point: 802.95°C (Cal.)