2-[[(2S)-1-[[(2S)-1-Hydroxy-3-(1H-Indol-3-Yl)-1-Oxopropan-2-Yl]Amino]-3-Methyl-1-Oxopentan-2-Yl]Amino]-4-Phenylbutanoic Acid
[CAS# 76400-07-2]

Identification

• Name: 2-[[(2S)-1-[[(2S)-1-Hydroxy-3-(1H-Indol-3-Yl)-1-Oxopropan-2-Yl]Amino]-3-Methyl-1-Oxopentan-2-Yl]Amino]-4-Phenylbutanoic Acid
• Synonyms: 2-[[(1S)-1-[[(1S)-2-Hydroxy-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Butyl]Amino]-4-Phenyl-Butanoic Acid; 2-[[(1S)-1-[[[(1S)-2-Hydroxy-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylbutyl]Amino]-4-Phenylbutanoic Acid; 2-[[(1S)-1-[[(1S)-2-Hydroxy-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Butyl]Amino]-4-Phenyl-Butyric Acid
• Molecular Formula: C₂₇H₃₃N₃O₅
• Molecular Weight: 479.57
• CAS Registry Number: 76400-07-2
• SMILES: [C@H](CC1=C[NH]C2=CC=CC=C12)(C(O)=O)NC([C@@H](NC(CCC3=CC=CC=C3)C(O)=O)C(CC)C)=O
• InChI: 1S/C27H33N3O5/c1-3-17(2)24(29-22(26(32)33)14-13-18-9-5-4-6-10-18)25(31)30-23(27(34)35)15-19-16-28-21-12-8-7-11-20(19)21/h4-12,16-17,22-24,28-29H,3,13-15H2,1-2H3,(H,30,31)(H,32,33)(H,34,35)/t17?,22?,23-,24-/m0/s1
• InChIKey: VSKDBFPGGSBFRY-JCXRFBJNSA-N

Properties

• Density: 1.254g/cm³ (Cal.)
• Boiling point: 764.928°C at 760 mmHg (Cal.)
• Flash point: 416.413°C (Cal.)