Ala-Gly-Cys-Lys-Asn-Phe-Phe-D-Trp-Lys-Thr-Phe-Thr-Ser-Cys
[CAS# 58976-46-8]

Identification

• Name: Ala-Gly-Cys-Lys-Asn-Phe-Phe-D-Trp-Lys-Thr-Phe-Thr-Ser-Cys
• Synonyms: Somatostatin, Trp(8)-; Somatostatin, Tryptophan(8)-; Srif-14, Trp(8)-
• Molecular Formula: C₇₆H₁₀₄N₁₈O₁₉S₂
• Molecular Weight: 1637.89
• CAS Registry Number: 58976-46-8
• SMILES: [C@H](N)(C)C(=O)NCC(=O)N[C@@H]1C(=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(N[C@H](C(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)CSSC1)CO)[C@H](O)C)CC2=CC=CC=C2)[C@H](O)C)=O)CCCCN)=O)CC3=C[NH]C4=C3C=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6)CC(=O)N)CCCCN
• InChI: 1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55+,56-,57-,58-,59-,62-,63-/m0/s1
• InChIKey: NHXLMOGPVYXJNR-ZPHDWPCDSA-N

Properties

• Density: 1.43g/cm³ (Cal.)
• Boiling point: 1970.9°C at 760 mmHg (Cal.)
• Flash point: 1145.7°C (Cal.)