(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Phenylpropanoic Acid
[CAS# 108322-11-8]

Identification

• Name: (2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Phenylpropanoic Acid
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Phenyl-Propanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-3-Phenylpropanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Phenyl-Propionic Acid
• Molecular Formula: C₂₇H₂₉N₃O₆
• Molecular Weight: 491.54
• CAS Registry Number: 108322-11-8
• SMILES: [C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)(C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)CC3=CC=C(O)C=C3
• InChI: 1S/C27H29N3O6/c28-22(14-18-6-10-20(31)11-7-18)25(33)29-23(15-19-8-12-21(32)13-9-19)26(34)30-24(27(35)36)16-17-4-2-1-3-5-17/h1-13,22-24,31-32H,14-16,28H2,(H,29,33)(H,30,34)(H,35,36)/t22-,23-,24-/m0/s1
• InChIKey: TYGHOWWWMTWVKM-HJOGWXRNSA-N

Properties

• Density: 1.338g/cm³ (Cal.)
• Boiling point: 889.057°C at 760 mmHg (Cal.)
• Flash point: 491.484°C (Cal.)