Arg(9)-Neurotensin
[CAS# 63770-62-7]

Identification

• Name: Arg(9)-Neurotensin
• Synonyms: 9-D-Arg; 9-D-Arg Nt; Neurotensin (Ox), 9-D-Arginine-
• Molecular Formula: C₇₈H₁₂₁N₂₁O₂₀
• Molecular Weight: 1672.94
• CAS Registry Number: 63770-62-7
• 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=C(O)C=C5
• 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)/t43-,48-,49-,50-,51-,52+,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1
• InChIKey: PCJGZPGTCUMMOT-NOEGPRPMSA-N

Properties

• Density: 1.46g/cm³ (Cal.)