(2S)-2-[[(2S)-2-[[2-[[2-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propoxy]Acetyl]Amino]Acetyl]Amino]-3-Phenylpropanoyl]Amino]-4-Methylpentanamide
[CAS# 133851-90-8]

Identification

• Name: (2S)-2-[[(2S)-2-[[2-[[2-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propoxy]Acetyl]Amino]Acetyl]Amino]-3-Phenylpropanoyl]Amino]-4-Methylpentanamide
• Synonyms: (2S)-2-[[(2S)-2-[[2-[[2-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propoxy]Acetyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanamide; (2S)-2-[[(2S)-2-[[2-[[2-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propoxy]-1-Oxoethyl]Amino]-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-4-Methylpentanamide; (2S)-2-[[(2S)-2-[[2-[[2-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propoxy]Acetyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Valeramide
• Molecular Formula: C₂₈H₃₉N₅O₆
• Molecular Weight: 541.65
• CAS Registry Number: 133851-90-8
• SMILES: [C@H](C(=O)N)(NC([C@@H](NC(CNC(=O)COC[C@H](CC1=CC=C(C=C1)O)N)=O)CC2=CC=CC=C2)=O)CC(C)C
• InChI: 1S/C28H39N5O6/c1-18(2)12-23(27(30)37)33-28(38)24(14-19-6-4-3-5-7-19)32-25(35)15-31-26(36)17-39-16-21(29)13-20-8-10-22(34)11-9-20/h3-11,18,21,23-24,34H,12-17,29H2,1-2H3,(H2,30,37)(H,31,36)(H,32,35)(H,33,38)/t21-,23-,24-/m0/s1
• InChIKey: WXVMXEUPLSLIAE-XWGVYQGASA-N

Properties

• Density: 1.224g/cm³ (Cal.)
• Boiling point: 939.057°C at 760 mmHg (Cal.)
• Flash point: 521.723°C (Cal.)