4-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]-Methyl-Amino]-N-[(2S)-1-Hydroxy-3-Phenyl-Propan-2-Yl]Butanamide
[CAS# 99803-32-4]

Identification

• Name: 4-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]-Methyl-Amino]-N-[(2S)-1-Hydroxy-3-Phenyl-Propan-2-Yl]Butanamide
• Synonyms: 4-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]-Methyl-Amino]-N-[(1S)-1-(Hydroxymethyl)-2-Phenyl-Ethyl]Butanamide; 4-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]-Methylamino]-N-[(1S)-1-(Hydroxymethyl)-2-Phenylethyl]Butanamide; 4-[[(2S)-2-Amino-3-(4-Hydrox
• Molecular Formula: C₂₃H₃₁N₃O₄
• Molecular Weight: 413.52
• CAS Registry Number: 99803-32-4
• SMILES: [C@H](CC1=CC=C(C=C1)O)(C(N(C)CCCC(N[C@@H](CC2=CC=CC=C2)CO)=O)=O)N
• InChI: 1S/C23H31N3O4/c1-26(23(30)21(24)15-18-9-11-20(28)12-10-18)13-5-8-22(29)25-19(16-27)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,19,21,27-28H,5,8,13-16,24H2,1H3,(H,25,29)/t19-,21-/m0/s1
• InChIKey: NYWBUISAOGPARC-FPOVZHCZSA-N

Properties

• Density: 1.208g/cm³ (Cal.)
• Boiling point: 710.634°C at 760 mmHg (Cal.)
• Flash point: 383.578°C (Cal.)