2-Hydroxy-2-[2-[[1-Hydroxy-6-[Hydroxy-[(E)-3-Phenylprop-2-Enoyl]Amino]-1-Oxohexan-2-Yl]Amino]-2-Oxoethyl]-4-[[(2S)-6-[Hydroxy-[(E)-3-Phenylprop-2-Enoyl]Amino]-1-Methoxy-1-Oxohexan-2-Yl]Amino]-4-Oxobutanoic Acid
[CAS# 133705-27-8]

Identification

• Name: 2-Hydroxy-2-[2-[[1-Hydroxy-6-[Hydroxy-[(E)-3-Phenylprop-2-Enoyl]Amino]-1-Oxohexan-2-Yl]Amino]-2-Oxoethyl]-4-[[(2S)-6-[Hydroxy-[(E)-3-Phenylprop-2-Enoyl]Amino]-1-Methoxy-1-Oxohexan-2-Yl]Amino]-4-Oxobutanoic Acid
• Synonyms: 2-[2-[[1-Carboxy-5-[Hydroxy-[(E)-3-Phenylprop-2-Enoyl]Amino]Pentyl]Amino]-2-Oxo-Ethyl]-2-Hydroxy-4-[[(1S)-5-[Hydroxy-[(E)-3-Phenylprop-2-Enoyl]Amino]-1-Methoxycarbonyl-Pentyl]Amino]-4-Oxo-Butanoic Acid; 2-[2-[[1-Carboxy-5-[Hydroxy-[(E)-1-Oxo-3-Phenylprop-2-Enyl]Amino]Pentyl]Amino]-2-Oxoethyl]-2-Hydroxy-4-[[(1S)-5-[Hydroxy-[(E)-1-Oxo-3-Phenylprop-2-Enyl]Amino]-1-Methoxycarbonylpentyl]Amino]-4-Oxobutanoic Acid; 2-[2-[[(1S)-1-Carbomethoxy-5-[Hydroxy-[(E)-3-Phenylacryloyl]Amino]Pentyl]Amino]-2-Keto-Ethyl]-4-[[1-Carboxy-5-[Hydroxy-[(E)-3-Phenylacryloyl]Amino]Pentyl]Amino]-2-Hydroxy-4-Keto-Butyric Acid
• Molecular Formula: C₃₇H₄₆N₄O₁₃
• Molecular Weight: 754.79
• CAS Registry Number: 133705-27-8
• SMILES: [C@H](C(=O)OC)(NC(CC(CC(=O)NC(CCCCN(C(\C=C\C1=CC=CC=C1)=O)O)C(=O)O)(O)C(=O)O)=O)CCCCN(C(\C=C\C2=CC=CC=C2)=O)O
• InChI: 1S/C37H46N4O13/c1-54-35(48)29(17-9-11-23-41(53)33(45)21-19-27-14-6-3-7-15-27)39-31(43)25-37(51,36(49)50)24-30(42)38-28(34(46)47)16-8-10-22-40(52)32(44)20-18-26-12-4-2-5-13-26/h2-7,12-15,18-21,28-29,51-53H,8-11,16-17,22-25H2,1H3,(H,38,42)(H,39,43)(H,46,47)(H,49,50)/b20-18+,21-19+/t28?,29-,37?/m0/s1
• InChIKey: MSIKUOJWOBZEKW-VEIBTSJQSA-N

Properties

• Density: 1.366g/cm³ (Cal.)