Neurotensin
[CAS# 39379-15-2]

Identification

• Name: Neurotensin
• Synonyms: Glp-Leu-Tyr-Glu-Asn-Lys-Pro-Arg-Arg-Pro-Tyr-Ile-Leu-Oh; Ccris 3327; Neurotensin
• Molecular Formula: C₇₈H₁₂₁N₂₁O₂₀
• Molecular Weight: 1672.94
• CAS Registry Number: 39379-15-2
• SMILES: C5=C(CC(NC(C4N(C(C(NC(C(NC(C3N(C(C(NC(C(NC(C(NC(C(CC1=CC=C(O)C=C1)NC(C(NC(C2NC(=O)CC2)=O)CC(C)C)=O)=O)CCC(O)=O)=O)CC(N)=O)=O)CCCCN)=O)CCC3)=O)CCCNC(N)=N)=O)CCCNC(N)=N)=O)CCC4)=O)C(NC(C(NC(CC(C)C)C(O)=O)=O)C(CC)C)=O)C=CC(=C5)O
• InChI: 1S/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)
• InChIKey: PCJGZPGTCUMMOT-UHFFFAOYSA-N

Properties

• Density: 1.46g/cm³ (Cal.)