(2S)-2-Amino-5-[[(2R)-1-[(2-Ethoxy-2-Oxoethyl)Amino]-1-Oxo-3-Sulfanylpropan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 118421-50-4]

Identification

• Name: (2S)-2-Amino-5-[[(2R)-1-[(2-Ethoxy-2-Oxoethyl)Amino]-1-Oxo-3-Sulfanylpropan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: (2S)-2-Amino-5-[[(1R)-2-[(2-Ethoxy-2-Oxo-Ethyl)Amino]-2-Oxo-1-(Sulfanylmethyl)Ethyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-[(2-Ethoxy-2-Oxoethyl)Amino]-1-(Mercaptomethyl)-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-[(2-Ethoxy-2-Keto-Ethyl)Amino]-2-Keto-1-(Mercaptomethyl)Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₂H₂₁N₃O₆S
• Molecular Weight: 335.37
• CAS Registry Number: 118421-50-4
• SMILES: [C@@H](CS)(NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)OCC
• InChI: 1S/C12H21N3O6S/c1-2-21-10(17)5-14-11(18)8(6-22)15-9(16)4-3-7(13)12(19)20/h7-8,22H,2-6,13H2,1H3,(H,14,18)(H,15,16)(H,19,20)/t7-,8-/m0/s1
• InChIKey: JKRODHBGNBKZLE-YUMQZZPRSA-N

Properties

• Density: 1.315g/cm³ (Cal.)
• Boiling point: 644.326°C at 760 mmHg (Cal.)
• Flash point: 343.476°C (Cal.)