Undecenoyl-aspartyl-dialanyl-proline ethylamide
[CAS# 90068-11-4]

Identification

• Name: Undecenoyl-aspartyl-dialanyl-proline ethylamide
• Synonyms: (3S)-3-Amino-4-[[(1S)-2-[(2R)-1-[(2S)-2-[[(2S)-2-Amino-4-Hydroxy-4-Oxo-Butanoyl]Amino]Propanoyl]-2-(Ethylcarbamoyl)-3-[(E)-Undec-2-Enoyl]Pyrrolidin-2-Yl]-1-Methyl-2-Oxo-Ethyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-Amino-4-[[(1S)-2-[(2R)-1-[(2S)-2-[[(2S)-2-Amin
• Molecular Formula: C₃₂H₅₂N₆O₁₀
• Molecular Weight: 680.80
• CAS Registry Number: 90068-11-4
• SMILES: [C@@]1(N(CCC1C(=O)\C=C\CCCCCCCC)C(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C)(C(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C)C(=O)NCC
• InChI: 1S/C32H52N6O10/c1-5-7-8-9-10-11-12-13-14-24(39)21-15-16-38(30(47)20(4)37-29(46)23(34)18-26(42)43)32(21,31(48)35-6-2)27(44)19(3)36-28(45)22(33)17-25(40)41/h13-14,19-23H,5-12,15-18,33-34H2,1-4H3,(H,35,48)(H,36,45)(H,37,46)(H,40,41)(H,42,43)/b14-13+/t19-,20-
• InChIKey: YUWPELOXCJYWJB-FPIJYOSOSA-N

Properties

• Density: 1.247g/cm³ (Cal.)
• Boiling point: 1002.493°C at 760 mmHg (Cal.)
• Flash point: 560.087°C (Cal.)