beta-Endorphin (1-9)
[CAS# 59481-79-7]

Identification

• Name: beta-Endorphin (1-9)
• Synonyms: (2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]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-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]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; (2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]Amino]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
• Molecular Formula: C₄₅H₆₆N₁₀O₁₅S
• Molecular Weight: 1019.13
• CAS Registry Number: 59481-79-7
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC2=CC=CC=C2)CCSC)(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
• InChI: 1S/C45H66N10O15S/c1-25(57)38(44(68)54-34(24-56)43(67)51-30(15-16-37(61)62)40(64)53-32(45(69)70)10-6-7-18-46)55-41(65)31(17-19-71-2)52-42(66)33(21-26-8-4-3-5-9-26)50-36(60)23-48-35(59)22-49-39(63)29(47)20-27-11-13-28(58)14-12-27/h3-5,8-9,11-14,25,29-34,38,56-58H,6-7,10,15-24,46-47H2,1-2H3,(H,48,59)(H,49,63)(H,50,60)(H,51,67)(H,52,66)(H,53,64)(H,54,68)(H,55,65)(H,61,62)(H,69,70)/t25-,29+,30+,31+,32+,33+,34+,38+/m1/s1
• InChIKey: ILNQJIWCDCNMDU-KIHARKTDSA-N

Properties

• Density: 1.36g/cm³ (Cal.)
• Boiling point: 1543.864°C at 760 mmHg (Cal.)
• Flash point: 887.497°C (Cal.)