Somatostatin SS-1
[CAS# 59983-96-9]

Identification

• Name: Somatostatin SS-1
• Synonyms: Growth Hormone-Release Inhibiting Factor (Sheep Reduced), 3-(L-Threo-2,7-Diaminooctanedioic Acid)-14-De-L-Cysteine-, Cyclic (13-3)-Peptide; Somatostatin Ss-1
• Molecular Formula: C₇₈H₁₀₈N₁₈O₁₉
• Molecular Weight: 1601.82
• CAS Registry Number: 59983-96-9
• SMILES: C6=C(CC1C(=O)NC(C(NC(C(=O)NC(C(=O)NC(C(O)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CCCCC(C(=O)NC(CCCCN)C(=O)NC(C(=O)N1)CC(=O)N)NC(=O)CNC(=O)C(N)C)C(O)=O)CO)C(O)C)CC2=CC=CC=C2)CCCCN)CC3=C[NH]C4=C3C=CC=C4)=O)CC5=CC=CC=C5)C=CC=C6
• InChI: 1S/C78H108N18O19/c1-43(81)66(102)84-41-63(101)85-52-29-15-16-32-55(78(114)115)88-75(111)61(42-97)94-77(113)65(45(3)99)96-74(110)58(37-48-25-11-6-12-26-48)93-76(112)64(44(2)98)95-69(105)54(31-18-20-34-80)87-72(108)59(38-49-40-83-51-28-14-13-27-50(49)51)91-71(107)57(36-47-23-9-5-10-24-47)89-70(106)56(35-46-21-7-4-8-22-46)90-73(109)60(39-62(82)100)92-68(104)53(86-67(52)103)30-17-19-33-79/h4-14,21-28,40,43-45,52-61,64-65,83,97-99H,15-20,29-39,41-42,79-81H2,1-3H3,(H2,82,100)(H,84,102)(H,85,101)(H,86,103)(H,87,108)(H,88,111)(H,89,106)(H,90,109)(H,91,107)(H,92,104)(H,93,112)(H,94,113)(H,95,105)(H,96,110)(H,114,115)
• InChIKey: CCWNWQAFNNLKTG-UHFFFAOYSA-N

Properties

• Density: 1.39g/cm³ (Cal.)
• Boiling point: 1937.8°C at 760 mmHg (Cal.)
• Flash point: 1125.8°C (Cal.)