(4S)-4-Amino-5-[[(2R)-1-(Carboxymethylamino)-3-[(2R)-2-Hydroxy-3,3-Dimethoxypropyl]Sulfanyl-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 142565-25-1]

Identification

• Name: (4S)-4-Amino-5-[[(2R)-1-(Carboxymethylamino)-3-[(2R)-2-Hydroxy-3,3-Dimethoxypropyl]Sulfanyl-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: (4S)-4-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[(2R)-2-Hydroxy-3,3-Dimethoxy-Propyl]Sulfanylmethyl]-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[[(2R)-2-Hydroxy-3,3-Dimethoxypropyl]Thio]Methyl]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (4S)-4-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[[(2R)-2-Hydroxy-3,3-Dimethoxy-Propyl]Thio]Methyl]-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₅H₂₇N₃O₉S
• Molecular Weight: 425.45
• CAS Registry Number: 142565-25-1
• SMILES: [C@H](C(NCC(=O)O)=O)(NC([C@@H](N)CCC(=O)O)=O)CSC[C@@H](C(OC)OC)O
• InChI: 1S/C15H27N3O9S/c1-26-15(27-2)10(19)7-28-6-9(14(25)17-5-12(22)23)18-13(24)8(16)3-4-11(20)21/h8-10,15,19H,3-7,16H2,1-2H3,(H,17,25)(H,18,24)(H,20,21)(H,22,23)/t8-,9-,10-/m0/s1
• InChIKey: UVUSROHYPRFJQX-GUBZILKMSA-N

Properties

• Density: 1.387g/cm³ (Cal.)
• Boiling point: 856.227°C at 760 mmHg (Cal.)
• Flash point: 471.629°C (Cal.)