Acetyl-Asparaginyl-Prolyl-Methyltyrosinamide
[CAS# 82867-71-8]

Identification

• Name: Acetyl-Asparaginyl-Prolyl-Methyltyrosinamide
• Synonyms: (2S)-N-[(2S)-2-Acetamido-3-(4-Hydroxyphenyl)Propanoyl]-1-[(2S)-2,4-Diamino-4-Oxo-Butanoyl]-N-Methyl-Pyrrolidine-2-Carboxamide; (2S)-N-[(2S)-2-Acetamido-3-(4-Hydroxyphenyl)-1-Oxopropyl]-1-[(2S)-2,4-Diamino-1,4-Dioxobutyl]-N-Methyl-2-Pyrrolidinecarboxamide; (2S)-N-[(2S)-2-Acetamido-3-(4-Hydroxyphenyl)Propanoyl]-1-[(2S)-2,4-Diamino-4-Keto-Butanoyl]-N-Methyl-Pyrrolidine-2-Carboxamide
• Molecular Formula: C₂₁H₂₉N₅O₆
• Molecular Weight: 447.49
• CAS Registry Number: 82867-71-8
• SMILES: [C@H](C(=O)N(C)C([C@H]1N(CCC1)C([C@@H](N)CC(=O)N)=O)=O)(NC(=O)C)CC2=CC=C(O)C=C2
• InChI: 1S/C21H29N5O6/c1-12(27)24-16(10-13-5-7-14(28)8-6-13)20(31)25(2)21(32)17-4-3-9-26(17)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: KTSBIEDXOOPHGM-ULQDDVLXSA-N

Properties

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