(2R)-2-Amino-5-[[(2R)-1-(Carboxymethylamino)-3-[2-Hydroxy-5-(4-Hydroxyphenyl)Phenyl]Sulfanyl-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 106848-71-9]

Identification

• Name: (2R)-2-Amino-5-[[(2R)-1-(Carboxymethylamino)-3-[2-Hydroxy-5-(4-Hydroxyphenyl)Phenyl]Sulfanyl-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: (2R)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[2-Hydroxy-5-(4-Hydroxyphenyl)Phenyl]Sulfanylmethyl]-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (2R)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[[2-Hydroxy-5-(4-Hydroxyphenyl)Phenyl]Thio]Methyl]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (2R)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[[2-Hydroxy-5-(4-Hydroxyphenyl)Phenyl]Thio]Methyl]-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₂₂H₂₅N₃O₈S
• Molecular Weight: 491.51
• CAS Registry Number: 106848-71-9
• SMILES: [C@H](NC(=O)CC[C@@H](N)C(=O)O)(CSC1=C(O)C=CC(=C1)C2=CC=C(O)C=C2)C(=O)NCC(=O)O
• InChI: 1S/C22H25N3O8S/c23-15(22(32)33)6-8-19(28)25-16(21(31)24-10-20(29)30)11-34-18-9-13(3-7-17(18)27)12-1-4-14(26)5-2-12/h1-5,7,9,15-16,26-27H,6,8,10-11,23H2,(H,24,31)(H,25,28)(H,29,30)(H,32,33)/t15-,16+/m1/s1
• InChIKey: VZRVCQDRGSNZOQ-CVEARBPZSA-N

Properties

• Density: 1.524g/cm³ (Cal.)
• Boiling point: 898.67°C at 760 mmHg (Cal.)
• Flash point: 497.298°C (Cal.)