2-L-Proline-13-L-Methioninesomatostatin (Sheep Reduced)
[CAS# 145038-23-9]

Identification

• Name: 2-L-Proline-13-L-Methioninesomatostatin (Sheep Reduced)
• Synonyms: 2-Pro-13-Met-Somatostatin; Somatostatin (Sheep Reduced), 2-L-Proline-13-L-Methionine-; Somatostatin, Pro(2)-Met(13)-
• Molecular Formula: C₈₁H₁₁₄N₁₈O₁₈S₃
• Molecular Weight: 1724.08
• CAS Registry Number: 145038-23-9
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H]1N(CCC1)C([C@@H](N)C)=O)=O)CS)=O)CCCCN)=O)CC(=O)N)=O)CC2=CC=CC=C2)=O)CC3=CC=CC=C3)=O)CC4=C[NH]C5=CC=CC=C45)=O)CCCCN)=O)[C@@H](C)O)=O)CC6=CC=CC=C6)=O)[C@@H](C)O)=O)CCSC)=O)CS
• InChI: 1S/C81H114N18O18S3/c1-45(84)80(115)99-35-20-31-64(99)77(112)95-62(43-118)76(111)88-54(29-16-18-33-82)68(103)93-61(41-65(85)102)74(109)91-57(37-48-21-8-5-9-22-48)71(106)90-58(38-49-23-10-6-11-24-49)72(107)92-60(40-51-42-86-53-28-15-14-27-52(51)53)73(108)87-55(30-17-19-34-83)70(105)97-67(47(3)101)79(114)94-59(39-50-25-12-7-13-26-50)75(110)98-66(46(2)100)78(113)89-56(32-36-120-4)69(104)96-63(44-119)81(116)117/h5-15,21-28,42,45-47,54-64,66-67,86,100-101,118-119H,16-20,29-41,43-44,82-84H2,1-4H3,(H2,85,102)(H,87,108)(H,88,111)(H,89,113)(H,90,106)(H,91,109)(H,92,107)(H,93,103)(H,94,114)(H,95,112)(H,96,104)(H,97,105)(H,98,110)(H,116,117)/t45-,46+,47+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,66-,67-/m0/s1
• InChIKey: UGHCIZOZFGPXEZ-MUYMQMCLSA-N

Properties

• Density: 1.329g/cm³ (Cal.)
• Boiling point: 1964.7°C at 760 mmHg (Cal.)
• Flash point: 1142°C (Cal.)