Acetyl-Tyrosyl-Prolyl-Methylasparaginamide
[CAS# 82867-72-9]

Identification

• Name: Acetyl-Tyrosyl-Prolyl-Methylasparaginamide
• Synonyms: (2S)-N-[(2S)-1-[(2S)-2-Acetamido-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]-2-Amino-N-Methyl-Butanediamide; (2S)-N-[[(2S)-1-[(2S)-2-Acetamido-3-(4-Hydroxyphenyl)-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]-2-Amino-N-Methylbutanediamide; (2S)-N-[(2S)-1-[(2S)-2-Acetamido-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidine-2-Carbonyl]-2-Amino-N-Methyl-Succinamide
• Molecular Formula: C₂₁H₂₉N₅O₆
• Molecular Weight: 447.49
• CAS Registry Number: 82867-72-9
• SMILES: [C@H](C(=O)N(C)C([C@H]1N(CCC1)C([C@@H](NC(=O)C)CC2=CC=C(O)C=C2)=O)=O)(N)CC(=O)N
• InChI: 1S/C21H29N5O6/c1-12(27)24-16(10-13-5-7-14(28)8-6-13)20(31)26-9-3-4-17(26)21(32)25(2)19(30)15(22)11-18(23)29/h5-8,15-17,28H,3-4,9-11,22H2,1-2H3,(H2,23,29)(H,24,27)/t15-,16-,17-/m0/s1
• InChIKey: QLLCRUTUDDVXHD-ULQDDVLXSA-N

Properties

• Density: 1.346g/cm³ (Cal.)
• Boiling point: 845.229°C at 760 mmHg (Cal.)
• Flash point: 464.978°C (Cal.)