Glycylglycyl-D-Seryl-D-Leucyl-D-Tyrosyl-L-Seryl-D-Phenylalanylglycyl-L-Leucinamide
[CAS# 123338-12-5]

Identification

• Name: Glycylglycyl-D-Seryl-D-Leucyl-D-Tyrosyl-L-Seryl-D-Phenylalanylglycyl-L-Leucinamide
• Synonyms: Allatostatin III; Glycylglycyl-D-seryl-D-leucyl-D-tyrosyl-L-seryl-D-phenylalanylglycyl-L-leucinamide
• Molecular Formula: C₄₂H₆₂N₁₀O₁₂
• Molecular Weight: 899.00
• CAS Registry Number: 123338-12-5
• SMILES: CC(C)C[C@@H](C(=O)N)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccc(cc2)O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)CNC(=O)CN
• InChI: 1S/C42H62N10O12/c1-23(2)14-28(37(44)59)47-36(58)20-46-38(60)30(16-25-8-6-5-7-9-25)50-42(64)33(22-54)52-40(62)31(17-26-10-12-27(55)13-11-26)51-39(61)29(15-24(3)4)49-41(63)32(21-53)48-35(57)19-45-34(56)18-43/h5-13,23-24,28-33,53-55H,14-22,43H2,1-4H3,(H2,44,59)(H,45,56)(H,46,60)(H,47,58)(H,48,57)(H,49,63)(H,50,64)(H,51,61)(H,52,62)/t28-,29+,30+,31+,32+,33-/m0/s1
• InChIKey: FQELVQXEBBNBAC-OMEZYKDXSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 1426.5±65.0°C at 760 mmHg (Cal.)
• Flash point: 816.5±34.3°C (Cal.)
• Refractive index: 1.58 (Cal.)