Ethyl 2-[[(2S)-3-(4-Hydroxyphenyl)-2-[[2-(Phenylmethoxycarbonylamino)Acetyl]Amino]Propanoyl]Amino]Acetate
[CAS# 3561-36-2]

Identification

• Name: Ethyl 2-[[(2S)-3-(4-Hydroxyphenyl)-2-[[2-(Phenylmethoxycarbonylamino)Acetyl]Amino]Propanoyl]Amino]Acetate
• Synonyms: 2-[[(2S)-3-(4-Hydroxyphenyl)-1-Oxo-2-[[1-Oxo-2-[[Oxo-(Phenylmethoxy)Methyl]Amino]Ethyl]Amino]Propyl]Amino]Acetic Acid Ethyl Ester; 2-[[(2S)-2-[[2-(Benzyloxycarbonylamino)Acetyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetic Acid Ethyl Ester; Ethyl 2-[[(2S)-3-(4-Hydroxyphenyl)-2-[2-(Phenylmethoxycarbonylamino)Ethanoylamino]Propanoyl]Amino]Ethanoate
• Molecular Formula: C₂₃H₂₇N₃O₇
• Molecular Weight: 457.48
• CAS Registry Number: 3561-36-2
• SMILES: [C@H](C(NCC(=O)OCC)=O)(NC(CNC(=O)OCC1=CC=CC=C1)=O)CC2=CC=C(O)C=C2
• InChI: 1S/C23H27N3O7/c1-2-32-21(29)14-24-22(30)19(12-16-8-10-18(27)11-9-16)26-20(28)13-25-23(31)33-15-17-6-4-3-5-7-17/h3-11,19,27H,2,12-15H2,1H3,(H,24,30)(H,25,31)(H,26,28)/t19-/m0/s1
• InChIKey: ZHDUHESPWZDKSF-IBGZPJMESA-N

Properties

• Density: 1.278g/cm³ (Cal.)
• Boiling point: 773.75°C at 760 mmHg (Cal.)
• Flash point: 421.749°C (Cal.)