Phe(11)-Neurotensin
[CAS# 64088-66-0]

Identification

• Name: Phe(11)-Neurotensin
• Synonyms: Neurotensin, 11-D-Phenylalanine-; Neurotensin, Phe(11)-; Neurotensin, Phenylalanine(11)-
• Molecular Formula: C₇₈H₁₂₁N₂₁O₁₉
• Molecular Weight: 1656.94
• CAS Registry Number: 64088-66-0
• SMILES: [C@@H]4(N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)CC1)CC(C)C)CC2=CC=C(O)C=C2)CCC(=O)O)CC(=O)N)CCCCN)CCC3)CCCNC(=N)N)CCCNC(=N)N)CCC4)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)[C@H](CC)C)CC5=CC=CC=C5
• InChI: 1S/C78H121N21O19/c1-7-44(6)63(73(114)96-57(76(117)118)38-43(4)5)97-70(111)55(39-45-17-9-8-10-18-45)95-72(113)59-23-16-36-99(59)75(116)52(21-14-34-86-78(83)84)90-64(105)48(20-13-33-85-77(81)82)89-71(112)58-22-15-35-98(58)74(115)51(19-11-12-32-79)91-69(110)56(41-60(80)101)94-66(107)50(29-31-62(103)104)88-68(109)54(40-46-24-26-47(100)27-25-46)93-67(108)53(37-42(2)3)92-65(106)49-28-30-61(102)87-49/h8-10,17-18,24-27,42-44,48-59,63,100H,7,11-16,19-23,28-41,79H2,1-6H3,(H2,80,101)(H,87,102)(H,88,109)(H,89,112)(H,90,105)(H,91,110)(H,92,106)(H,93,108)(H,94,107)(H,95,113)(H,96,114)(H,97,111)(H,103,104)(H,117,118)(H4,81,82,85)(H4,83,84,86)/t44-,48-,49-,50-,51-,52-,53-,54-,55+,56-,57-,58-,59-,63-/m0/s1
• InChIKey: MCMGOYUTSWWIKX-RINULEKGSA-N

Properties

• Density: 1.44g/cm³ (Cal.)