Trp(11)-Neurotensin
[CAS# 75644-95-0]

Identification

• Name: Trp(11)-Neurotensin
• Synonyms: (D-Trp(11))-Nt; Trp11nt; Neurotensin (Ox), 11-L-Tryptophan-
• Molecular Formula: C₈₀H₁₂₂N₂₂O₁₉
• Molecular Weight: 1695.98
• CAS Registry Number: 75644-95-0
• SMILES: [C@H](CCCNC(N)=N)(C(N[C@@H](CCCNC(N)=N)C(N1[C@@H](CCC1)C(N[C@@H](CC2=C[NH]C3=C2C=CC=C3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H](C(=O)O)CC(C)C)=O)=O)=O)NC([C@H]4N(CCC4)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@@H](NC([C@H]6NC(CC6)=O)=O)CC(C)C)CC(N)=O)CCCCN)=O
• InChI: 1S/C80H122N22O19/c1-7-44(6)65(75(117)99-59(78(120)121)37-43(4)5)100-72(114)57(39-46-41-89-49-17-9-8-16-48(46)49)98-74(116)61-22-15-35-102(61)77(119)54(20-13-33-88-80(85)86)93-66(108)50(19-12-32-87-79(83)84)92-73(115)60-21-14-34-101(60)76(118)53(18-10-11-31-81)94-71(113)58(40-62(82)104)97-68(110)52(28-30-64(106)107)91-70(112)56(38-45-23-25-47(103)26-24-45)96-69(111)55(36-42(2)3)95-67(109)51-27-29-63(105)90-51/h8-9,16-17,23-26,41-44,50-61,65,89,103H,7,10-15,18-22,27-40,81H2,1-6H3,(H2,82,104)(H,90,105)(H,91,112)(H,92,115)(H,93,108)(H,94,113)(H,95,109)(H,96,111)(H,97,110)(H,98,116)(H,99,117)(H,100,114)(H,106,107)(H,120,121)(H4,83,84,87)(H4,85,86,88)/t44-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,65-/m0/s1
• InChIKey: XHUBQRRWQWIRQR-HDZFXEKZSA-N

Properties

• Density: 1.47g/cm³ (Cal.)