2-[[2-[[(2S)-2-[[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]Amino]-3-Phenylpropanoyl]Amino]Acetyl]Amino]Acetic Acid
[CAS# 105250-85-9]

Identification

• Name: 2-[[2-[[(2S)-2-[[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]Amino]-3-Phenylpropanoyl]Amino]Acetyl]Amino]Acetic Acid
• Synonyms: 2-[[2-[[(2S)-2-[[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]Acetyl]Amino]Acetic Acid; 2-[[2-[[(2S)-2-[[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-1-Oxoethyl]Amino]Acetic Acid; 2-[2-[[(2S)-2-[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Ethanoylamino]-3-Phenyl-Propanoyl]Amino]Ethanoylamino]Ethanoic Acid
• Molecular Formula: C₂₄H₂₉N₅O₇
• Molecular Weight: 499.52
• CAS Registry Number: 105250-85-9
• SMILES: [C@@H](NC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)(C(=O)NCC(=O)NCC(=O)O)CC2=CC=CC=C2
• InChI: 1S/C24H29N5O7/c25-18(10-16-6-8-17(30)9-7-16)23(35)27-13-21(32)29-19(11-15-4-2-1-3-5-15)24(36)28-12-20(31)26-14-22(33)34/h1-9,18-19,30H,10-14,25H2,(H,26,31)(H,27,35)(H,28,36)(H,29,32)(H,33,34)/t18-,19-/m0/s1
• InChIKey: BGFPKYKDLYYTJH-OALUTQOASA-N

Properties

• Density: 1.353g/cm³ (Cal.)
• Boiling point: 1028.033°C at 760 mmHg (Cal.)
• Flash point: 575.534°C (Cal.)