Beta Casomorphin 8, Human
[CAS# 95210-75-6]

Identification

• Name: Beta Casomorphin 8, Human
• Synonyms: (2S)-1-[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Methyl-Pent
• Molecular Formula: C₄₉H₆₈N₈O₁₂
• Molecular Weight: 961.12
• CAS Registry Number: 95210-75-6
• SMILES: [C@@H]4(N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCC2)CC3=CC=CC=C3)C(C)C)CCC(=O)O)CCC4)C(=O)N[C@H](C(=O)N5[C@@H](CCC5)C(=O)O)[C@H](CC)C
• InChI: 1S/C49H68N8O12/c1-5-29(4)41(48(67)57-25-11-16-38(57)49(68)69)54-44(63)37-15-10-24-56(37)47(66)34(21-22-39(59)60)51-45(64)40(28(2)3)53-42(61)35(27-30-12-7-6-8-13-30)52-43(62)36-14-9-23-55(36)46(65)33(50)26-31-17-19-32(58)20-18-31/h6-8,12-13,17-20,28-29,33-
• InChIKey: GBYIGSOSWSECBF-RZTACLFWSA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 1312.886°C at 760 mmHg (Cal.)
• Flash point: 747.807°C (Cal.)