(2S)-2-[[2-[[2-[[3-(2-Aminoethyl)-1H-Indol-5-Yl]Oxy]Acetyl]Amino]Acetyl]Amino]-3-(4-Hydroxyphenyl)Propanamide
[CAS# 133790-08-6]

Identification

• Name: (2S)-2-[[2-[[2-[[3-(2-Aminoethyl)-1H-Indol-5-Yl]Oxy]Acetyl]Amino]Acetyl]Amino]-3-(4-Hydroxyphenyl)Propanamide
• Synonyms: (2S)-2-[[2-[[2-[[3-(2-Aminoethyl)-1H-Indol-5-Yl]Oxy]-1-Oxoethyl]Amino]-1-Oxoethyl]Amino]-3-(4-Hydroxyphenyl)Propanamide; (2S)-2-[[2-[[2-[[3-(2-Aminoethyl)-1H-Indol-5-Yl]Oxy]Acetyl]Amino]Acetyl]Amino]-3-(4-Hydroxyphenyl)Propionamide; (2S)-2-[2-[2-[[3-(2-Aminoethyl)-1H-Indol-5-Yl]Oxy]Ethanoylamino]Ethanoylamino]-3-(4-Hydroxyphenyl)Propanamide
• Molecular Formula: C₂₃H₂₇N₅O₅
• Molecular Weight: 453.50
• CAS Registry Number: 133790-08-6
• SMILES: [C@H](C(=O)N)(NC(CNC(=O)COC2=CC1=C([NH]C=C1CCN)C=C2)=O)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)27-12-21(30)28-20(23(25)32)9-14-1-3-16(29)4-2-14/h1-6,10-11,20,26,29H,7-9,12-13,24H2,(H2,25,32)(H,27,31)(H,28,30)/t20-/m0/s1
• InChIKey: ZRVNSPYTGPNZTB-FQEVSTJZSA-N

Properties

• Density: 1.359g/cm³ (Cal.)
• Boiling point: 937.198°C at 760 mmHg (Cal.)
• Flash point: 520.599°C (Cal.)