2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]-3-Phenylpropanoyl]Amino]Acetic Acid
[CAS# 78700-74-0]

Identification

• Name: 2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]-3-Phenylpropanoyl]Amino]Acetic Acid
• Synonyms: 2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Acetic Acid; 2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]Acetic Acid; 2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Ethanoic Acid
• Molecular Formula: C₂₃H₂₈N₄O₆
• Molecular Weight: 456.50
• CAS Registry Number: 78700-74-0
• SMILES: [C@H](C(NCC(=O)O)=O)(NC([C@@H](NC([C@@H](N)CC1=CC=C(O)C=C1)=O)C)=O)CC2=CC=CC=C2
• InChI: 1S/C23H28N4O6/c1-14(26-22(32)18(24)11-16-7-9-17(28)10-8-16)21(31)27-19(23(33)25-13-20(29)30)12-15-5-3-2-4-6-15/h2-10,14,18-19,28H,11-13,24H2,1H3,(H,25,33)(H,26,32)(H,27,31)(H,29,30)/t14-,18-,19-/m0/s1
• InChIKey: CWPDVLMKCHLLPS-JVPBZIDWSA-N

Properties

• Density: 1.315g/cm³ (Cal.)
• Boiling point: 904.973°C at 760 mmHg (Cal.)
• Flash point: 501.11°C (Cal.)