S-(((3-(2,2,5,5-Tetramethylpyrrolidine-1-Oxy)Amino)Carbonyl)Methyl)-L-Cysteinyl-L-Tyrosine Amide
[CAS 60112-10-9]

Identification

• Name: S-(((3-(2,2,5,5-Tetramethylpyrrolidine-1-Oxy)Amino)Carbonyl)Methyl)-L-Cysteinyl-L-Tyrosine Amide
• Synonyms: (2R)-2-Amino-N-[(1S)-2-Amino-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]-3-[2-[(1-Hydroxy-2,2,5,5-Tetramethyl-Pyrrolidin-3-Yl)Amino]-2-Oxo-Ethyl]Sulfanyl-Propanamide; (2R)-2-Amino-N-[(1S)-2-Amino-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]-3-[[2-[(1-Hydroxy-2,2,5,5-Tetramethyl-3-Pyrrolidinyl)Amino]-2-Oxoethyl]Thio]Propanamide; (2R)-2-Amino-N-[(1S)-2-Amino-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]-3-[[2-[(1-Hydroxy-2,2,5,5-Tetramethyl-Pyrrolidin-3-Yl)Amino]-2-Keto-Ethyl]Thio]Propionamide
• Molecular Formula: C₂₂H₃₅N₅O₅S
• Molecular Weight: 481.61
• CAS Registry Number: 60112-10-9
• SMILES: [C@H](C(=O)N)(NC(=O)[C@@H](N)CSCC(=O)NC1C(N(C(C1)(C)C)O)(C)C)CC2=CC=C(O)C=C2
• InChI: 1S/C22H35N5O5S/c1-21(2)10-17(22(3,4)27(21)32)26-18(29)12-33-11-15(23)20(31)25-16(19(24)30)9-13-5-7-14(28)8-6-13/h5-8,15-17,28,32H,9-12,23H2,1-4H3,(H2,24,30)(H,25,31)(H,26,29)/t15-,16-,17?/m0/s1
• InChIKey: GFNGINHGHCFSNL-PYNWJHIZSA-N

Properties

• Density: 1.328g/cm³ (Cal.)
• Boiling point: 825.794°C at 760 mmHg (Cal.)
• Flash point: 453.224°C (Cal.)