2-[[1-[[(2S)-1-Hydroxy-3-(1H-Indol-3-Yl)-1-Oxopropan-2-Yl]Carbamoyl]Cyclopentyl]Methyl]-4-Phenylbutanoic Acid
[CAS# 129980-23-0]

Identification

• Name: 2-[[1-[[(2S)-1-Hydroxy-3-(1H-Indol-3-Yl)-1-Oxopropan-2-Yl]Carbamoyl]Cyclopentyl]Methyl]-4-Phenylbutanoic Acid
• Synonyms: 2-[[1-[[(1S)-2-Hydroxy-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Carbamoyl]Cyclopentyl]Methyl]-4-Phenyl-Butanoic Acid; 2-[[1-[[[(1S)-2-Hydroxy-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Amino]-Oxomethyl]Cyclopentyl]Methyl]-4-Phenylbutanoic Acid; 2-[[1-[[(1S)-2-Hydroxy-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Carbamoyl]Cyclopentyl]Methyl]-4-Phenyl-Butyric Acid
• Molecular Formula: C₂₈H₃₂N₂O₅
• Molecular Weight: 476.57
• CAS Registry Number: 129980-23-0
• SMILES: [C@H](NC(=O)C2(CC(C(=O)O)CCC1=CC=CC=C1)CCCC2)(CC3=C[NH]C4=CC=CC=C34)C(=O)O
• InChI: 1S/C28H32N2O5/c31-25(32)20(13-12-19-8-2-1-3-9-19)17-28(14-6-7-15-28)27(35)30-24(26(33)34)16-21-18-29-23-11-5-4-10-22(21)23/h1-5,8-11,18,20,24,29H,6-7,12-17H2,(H,30,35)(H,31,32)(H,33,34)/t20?,24-/m0/s1
• InChIKey: MPZIROHQGMKFGS-JWIMYKKASA-N

Properties

• Density: 1.284g/cm³ (Cal.)
• Boiling point: 776.285°C at 760 mmHg (Cal.)
• Flash point: 423.282°C (Cal.)