(2S,3aS,7aS)-1-((S)-N-((S)-1-Carboxypentyl)alanyl)hexahydro-2-indolinecarboxylic acid 1-ethyl ester
[CAS# 108391-88-4]

Identification

• Name: (2S,3aS,7aS)-1-((S)-N-((S)-1-Carboxypentyl)alanyl)hexahydro-2-indolinecarboxylic acid 1-ethyl ester
• Synonyms: (2S)-2-[[(1S)-2-[(2S,3As,7As)-2-Ethoxycarbonyl-2,3,3A,4,5,6,7,7A-Octahydroindol-1-Yl]-1-Methyl-2-Oxo-Ethyl]Amino]Hexanoic Acid; (2S)-2-[[(1S)-2-[(2S,3As,7As)-2-Ethoxycarbonyl-2,3,3A,4,5,6,7,7A-Octahydroindol-1-Yl]-1-Methyl-2-Oxoethyl]Amino]Hexanoic Acid; (2S)-2-[[(1S)-2-[(2S,3As,7As)-2-Carbethoxy-2,3,3A,4,5,6,7,7A-Octahydroindol-1-Yl]-2-Keto-1-Methyl-Ethyl]Amino]Hexanoic Acid
• Molecular Formula: C₂₀H₃₄N₂O₅
• Molecular Weight: 382.50
• CAS Registry Number: 108391-88-4
• SMILES: [C@@H]1(N([C@@H]2[C@H](C1)CCCC2)C([C@@H](N[C@@H](CCCC)C(=O)O)C)=O)C(=O)OCC
• InChI: 1S/C20H34N2O5/c1-4-6-10-15(19(24)25)21-13(3)18(23)22-16-11-8-7-9-14(16)12-17(22)20(26)27-5-2/h13-17,21H,4-12H2,1-3H3,(H,24,25)/t13-,14-,15-,16-,17-/m0/s1
• InChIKey: YSTYLHQNVGRLGG-WOYTXXSLSA-N

Properties

• Density: 1.135g/cm³ (Cal.)
• Boiling point: 538.897°C at 760 mmHg (Cal.)
• Flash point: 279.715°C (Cal.)