Des-Asn(5)-Somatostatin
[CAS# 54786-81-1]

Identification

• Name: Des-Asn(5)-Somatostatin
• Synonyms: 5-Des-Asn-Somatostatin; 5-Des-Asn-Srih; Growth Hormone-Release Inhibiting Factor (Sheep), 5-De-L-Aspargine-
• Molecular Formula: C₇₂H₉₈N₁₆O₁₇S₂
• Molecular Weight: 1523.78
• CAS Registry Number: 54786-81-1
• SMILES: [C@H]1(CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(NC(C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(N1)=O)NC(CNC([C@H](C)N)=O)=O)C(O)=O)CO)[C@H](O)C)=O)CC2=CC=CC=C2)[C@H](O)C)CCCCN)CC3=C[NH]C4=C3C=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6
• InChI: 1S/C72H98N16O17S2/c1-40(75)61(93)77-36-58(92)78-56-38-106-107-39-57(72(104)105)86-68(100)55(37-89)85-71(103)60(42(3)91)88-67(99)53(33-45-23-11-6-12-24-45)84-70(102)59(41(2)90)87-63(95)50(28-16-18-30-74)79-66(98)54(34-46-35-76-48-26-14-13-25-47(46)48)83-65(97)52(32-44-21-9-5-10-22-44)82-64(96)51(31-43-19-7-4-8-20-43)81-62(94)49(80-69(56)101)27-15-17-29-73/h4-14,19-26,35,40-42,49-57,59-60,76,89-91H,15-18,27-34,36-39,73-75H2,1-3H3,(H,77,93)(H,78,92)(H,79,98)(H,80,101)(H,81,94)(H,82,96)(H,83,97)(H,84,102)(H,85,103)(H,86,100)(H,87,95)(H,88,99)(H,104,105)/t40-,41+,42+,49-,50-,51-,52-,53-,54-,55-,56-,57-,59?,60?/m0/s1
• InChIKey: ZIHRAPFYJSDXSV-ROWAAPPRSA-N

Properties

• Density: 1.415g/cm³ (Cal.)
• Boiling point: 1844.43°C at 760 mmHg (Cal.)
• Flash point: 1069.273°C (Cal.)