Serine(7)-Neurotensin
[CAS# 104969-72-4]

Identification

• Name: Serine(7)-Neurotensin
• Synonyms: 7-Ser-Neurotensin; Neurotensin, Ser(7)-
• Molecular Formula: C₇₆H₁₁₉N₂₁O₂₁
• Molecular Weight: 1662.90
• CAS Registry Number: 104969-72-4
• SMILES: [C@@H](NC([C@H]([C@H](CC)C)NC([C@@H](NC(=O)[C@H]1N(CCC1)C([C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(=O)[C@H]2NC(=O)CC2)CC(C)C)=O)CC3=CC=C(C=C3)O)=O)CCC(O)=O)=O)CC(=O)N)=O)CCCNC(N)=N)=O)CC4=CC=C(C=C4)O)=O)=O)(C(O)=O)CC(C)C
• InChI: 1S/C76H119N21O21/c1-7-41(6)61(72(115)94-55(74(117)118)34-40(4)5)96-69(112)53(36-43-19-23-45(100)24-20-43)93-71(114)57-16-12-32-97(57)73(116)50(15-11-31-84-76(81)82)89-62(105)47(14-10-30-83-75(79)80)87-70(113)56(38-98)95-63(106)46(13-8-9-29-77)86-68(111)54(37-58(78)101)92-65(108)49(26-28-60(103)104)88-67(110)52(35-42-17-21-44(99)22-18-42)91-66(109)51(33-39(2)3)90-64(107)48-25-27-59(102)85-48/h17-24,39-41,46-57,61,98-100H,7-16,25-38,77H2,1-6H3,(H2,78,101)(H,85,102)(H,86,111)(H,87,113)(H,88,110)(H,89,105)(H,90,107)(H,91,109)(H,92,108)(H,93,114)(H,94,115)(H,95,106)(H,96,112)(H,103,104)(H,117,118)(H4,79,80,83)(H4,81,82,84)/t41-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,61-/m0/s1
• InChIKey: ZBPLQJQLWYPGOF-CNPUEMECSA-N

Properties

• Density: 1.47g/cm³ (Cal.)