Neurotensin (1-8)
[CAS# 80887-44-1]

Identification

• Name: Neurotensin (1-8)
• Synonyms: (4S)-5-[[(1S)-3-Amino-1-[[(1S)-5-Amino-1-[(2S)-2-[[(1S)-1-Carboxy-4-Guanidino-Butyl]Carbamoyl]Pyrrolidine-1-Carbonyl]Pentyl]Carbamoyl]-3-Oxo-Propyl]Amino]-4-[[(2S)-3-(4-Hydroxyphenyl)-2-[[(2S)-4-Methyl-2-[[(2S)-5-Oxopyrrolidine-2-Carbonyl]Amino]Pentanoyl]Amino]Propanoyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-5-[[(1S)-3-Amino-1-[[[(1S)-5-Amino-1-[[(2S)-2-[[[(1S)-1-Carboxy-4-Guanidinobutyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-Oxomethyl]Pentyl]Amino]-Oxomethyl]-3-Oxopropyl]Amino]-4-[[(2S)-3-(4-Hydroxyphenyl)-2-[[(2S)-4-Methyl-1-Oxo-2-[[Oxo-[(2S)-5-Oxo-2-Pyrrolidinyl]Methyl]Amino]Pentyl]Amino]-1-Oxopropyl]Amino]-5-Oxopentanoic Acid; (4S)-5-[[(1S)-3-Amino-1-[[(1S)-5-Amino-1-[(2S)-2-[[(1S)-1-Carboxy-4-Guanidino-Butyl]Carbamoyl]Pyrrolidine-1-Carbonyl]Pentyl]Carbamoyl]-3-Keto-Propyl]Amino]-4-[[(2S)-3-(4-Hydroxyphenyl)-2-[[(2S)-4-Methyl-2-(Pyroglutamoylamino)Pentanoyl]Amino]Propanoyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₄₆H₇₁N₁₃O₁₄
• Molecular Weight: 1030.15
• CAS Registry Number: 80887-44-1
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2NC(=O)CC2)CC(C)C)CC3=CC=C(O)C=C3)CCC(O)=O)CC(=O)N)CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
• InChI: 1S/C46H71N13O14/c1-24(2)21-31(56-38(65)27-14-16-36(62)52-27)40(67)57-32(22-25-10-12-26(60)13-11-25)41(68)53-28(15-17-37(63)64)39(66)58-33(23-35(48)61)42(69)54-29(7-3-4-18-47)44(71)59-20-6-9-34(59)43(70)55-30(45(72)73)8-5-19-51-46(49)50/h10-13,24,27-34,60H,3-9,14-23,47H2,1-2H3,(H2,48,61)(H,52,62)(H,53,68)(H,54,69)(H,55,70)(H,56,65)(H,57,67)(H,58,66)(H,63,64)(H,72,73)(H4,49,50,51)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
• InChIKey: ZJPYPJIAUOEHJV-LGYYRGKSSA-N

Properties

• Density: 1.516g/cm³ (Cal.)