Neurotensin-Related Hexapeptide
[CAS# 85213-84-9]

Identification

• Name: Neurotensin-Related Hexapeptide
• Synonyms: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-Amino-2-[[(2S)-2,6-Diaminohexanoyl]Amino]-4-Oxo-Butanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-4-Methyl-Pentanoic Acid; (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-4-Amino-2-[[(2S)-2,6-Diamino-1-Oxohexyl]Amino]-1,4-Dioxobutyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-3-Methyl-1-Oxopentyl]Amino]-4-Methylpentanoic Acid; (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-Amino-2-[[(2S)-2,6-Diaminohexanoyl]Amino]-4-Keto-Butanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-4-Methyl-Valeric Acid
• Molecular Formula: C₃₆H₅₈N₈O₉
• Molecular Weight: 746.90
• CAS Registry Number: 85213-84-9
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](N)CCCCN)=O)CC(=O)N)=O)=O)CC2=CC=C(O)C=C2)=O)[C@H](CC)C)=O)CC(C)C
• InChI: 1S/C36H58N8O9/c1-5-21(4)30(34(50)42-27(36(52)53)17-20(2)3)43-32(48)25(18-22-11-13-23(45)14-12-22)40-33(49)28-10-8-16-44(28)35(51)26(19-29(39)46)41-31(47)24(38)9-6-7-15-37/h11-14,20-21,24-28,30,45H,5-10,15-19,37-38H2,1-4H3,(H2,39,46)(H,40,49)(H,41,47)(H,42,50)(H,43,48)(H,52,53)/t21-,24-,25-,26-,27-,28-,30-/m0/s1
• InChIKey: VKJAQCBNNAUEKB-YYNHRMGXSA-N

Properties

• Density: 1.252g/cm³ (Cal.)
• Boiling point: 1162.896°C at 760 mmHg (Cal.)
• Flash point: 657.096°C (Cal.)