Neurotensin (1-10)
[CAS# 63524-00-5]

Identification

• Name: Neurotensin (1-10)
• Synonyms: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-Amino-2-[[(2S)-4-Amino-2-[[(2S)-5-Hydroxy-2-[[(2S)-3-(4-Hydroxyphenyl)-2-[[(2S)-4-Methyl-2-[[(2S)-5-Oxopyrrolidine-2-Carbonyl]Amino]Pentanoyl]Amino]Propanoyl]Amino]-5-Oxo-Pentanoyl]Amino]-4-Oxo-Butanoyl]Amino]Hexanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Guanidino-Pentanoyl]Amino]-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carboxylic Acid; (2S)-1-[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-6-Amino-2-[[(2S)-4-Amino-2-[[(2S)-5-Hydroxy-2-[[(2S)-3-(4-Hydroxyphenyl)-2-[[(2S)-4-Methyl-1-Oxo-2-[[Oxo-[(2S)-5-Oxo-2-Pyrrolidinyl]Methyl]Amino]Pentyl]Amino]-1-Oxopropyl]Amino]-1,5-Dioxopentyl]Amino]-1,4-Dioxobutyl]Amino]-1-Oxohexyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-5-Guanidino-1-Oxopentyl]Amino]-5-Guanidino-1-Oxopentyl]-2-Pyrrolidinecarboxylic Acid; (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-Amino-2-[[(2S)-4-Amino-2-[[(2S)-5-Hydroxy-2-[[(2S)-3-(4-Hydroxyphenyl)-2-[[(2S)-4-Methyl-2-(Pyroglutamoylamino)Pentanoyl]Amino]Propanoyl]Amino]-5-Keto-Pentanoyl]Amino]-4-Keto-Butanoyl]Amino]Hexanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Guanidino-Pentanoyl]Amino]-5-Guanidino-Pentanoyl]Proline
• Molecular Formula: C₅₇H₉₀N₁₈O₁₆
• Molecular Weight: 1283.45
• CAS Registry Number: 63524-00-5
• 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)N[C@H](C(=O)N4[C@@H](CCC4)C(O)=O)CCCN=C(N)N
• InChI: 1S/C57H90N18O16/c1-30(2)27-38(71-47(82)34-18-20-44(78)66-34)49(84)72-39(28-31-14-16-32(76)17-15-31)50(85)67-35(19-21-45(79)80)48(83)73-40(29-43(59)77)51(86)70-36(9-3-4-22-58)53(88)74-25-7-12-41(74)52(87)68-33(10-5-23-64-56(60)61)46(81)69-37(11-6-24-65-57(62)63)54(89)75-26-8-13-42(75)55(90)91/h14-17,30,33-42,76H,3-13,18-29,58H2,1-2H3,(H2,59,77)(H,66,78)(H,67,85)(H,68,87)(H,69,81)(H,70,86)(H,71,82)(H,72,84)(H,73,83)(H,79,80)(H,90,91)(H4,60,61,64)(H4,62,63,65)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
• InChIKey: HRJVZMYUVJBTHQ-NUDUWCFGSA-N

Properties

• Density: 1.538g/cm³ (Cal.)