(2S)-2-[[2-[[3-(2-Aminoethyl)-1H-Indol-5-Yl]Oxy]Acetyl]Amino]-N-(2-Amino-2-Oxoethyl)-3-(4-Hydroxyphenyl)Propanamide
[CAS# 133790-13-3]

Identification

• Name: (2S)-2-[[2-[[3-(2-Aminoethyl)-1H-Indol-5-Yl]Oxy]Acetyl]Amino]-N-(2-Amino-2-Oxoethyl)-3-(4-Hydroxyphenyl)Propanamide
• Synonyms: (2S)-2-[[2-[[3-(2-Aminoethyl)-1H-Indol-5-Yl]Oxy]Acetyl]Amino]-N-(2-Amino-2-Oxo-Ethyl)-3-(4-Hydroxyphenyl)Propanamide; (2S)-2-[[2-[[3-(2-Aminoethyl)-1H-Indol-5-Yl]Oxy]-1-Oxoethyl]Amino]-N-(2-Amino-2-Oxoethyl)-3-(4-Hydroxyphenyl)Propanamide; (2S)-2-[[2-[[3-(2-Aminoethyl)-1H-Indol-5-Yl]Oxy]Acetyl]Amino]-N-(2-Amino-2-Keto-Ethyl)-3-(4-Hydroxyphenyl)Propionamide
• Molecular Formula: C₂₃H₂₇N₅O₅
• Molecular Weight: 453.50
• CAS Registry Number: 133790-13-3
• SMILES: [C@@H](NC(=O)COC2=CC1=C([NH]C=C1CCN)C=C2)(C(=O)NCC(=O)N)CC3=CC=C(O)C=C3
• InChI: 1S/C23H27N5O5/c24-8-7-15-11-26-19-6-5-17(10-18(15)19)33-13-22(31)28-20(23(32)27-12-21(25)30)9-14-1-3-16(29)4-2-14/h1-6,10-11,20,26,29H,7-9,12-13,24H2,(H2,25,30)(H,27,32)(H,28,31)/t20-/m0/s1
• InChIKey: PBRWGFLPYQYNGI-FQEVSTJZSA-N

Properties

• Density: 1.359g/cm³ (Cal.)
• Boiling point: 941.533°C at 760 mmHg (Cal.)
• Flash point: 523.22°C (Cal.)