4-[[(1S)-1-[[(1S)-1-[[(2S)-2-Propylaminopropanoyl]Carbamoyl]Ethyl]Carbamoyl]Ethyl]Carbamoyl]Butanoic Acid
[CAS# 83808-39-3]

Identification

• Name: 4-[[(1S)-1-[[(1S)-1-[[(2S)-2-Propylaminopropanoyl]Carbamoyl]Ethyl]Carbamoyl]Ethyl]Carbamoyl]Butanoic Acid
• Synonyms: 5-[[(1S)-1-Methyl-2-[[(1S)-1-Methyl-2-Oxo-2-[[(2S)-2-Propylaminopropanoyl]Amino]Ethyl]Amino]-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; 5-[[(1S)-1-Methyl-2-[[(1S)-1-Methyl-2-Oxo-2-[[(2S)-1-Oxo-2-Propylaminopropyl]Amino]Ethyl]Amino]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; 5-Keto-5-[[(1S)-2-Keto-2-[[(1S)-2-Keto-1-Methyl-2-[[(2S)-2-Propylaminopropanoyl]Amino]Ethyl]Amino]-1-Methyl-Ethyl]Amino]Valeric Acid
• Molecular Formula: C₁₇H₃₀N₄O₆
• Molecular Weight: 386.45
• CAS Registry Number: 83808-39-3
• SMILES: [C@H](C(=O)NC([C@@H](NC([C@@H](NC(CCCC(=O)O)=O)C)=O)C)=O)(NCCC)C
• InChI: 1S/C17H30N4O6/c1-5-9-18-10(2)15(25)21-17(27)12(4)20-16(26)11(3)19-13(22)7-6-8-14(23)24/h10-12,18H,5-9H2,1-4H3,(H,19,22)(H,20,26)(H,23,24)(H,21,25,27)/t10-,11-,12-/m0/s1
• InChIKey: FNDBNNHXFJAAKI-SRVKXCTJSA-N

Properties

• Density: 1.176g/cm³ (Cal.)
• Boiling point: 707.828°C at 760 mmHg (Cal.)
• Flash point: 381.881°C (Cal.)