2-Hydroxy-4-[[(2S)-1-Hydroxy-6-[Hydroxy-[(E)-3-Phenylprop-2-Enoyl]Amino]-1-Oxohexan-2-Yl]Amino]-2-[2-[[(2S)-1-Hydroxy-6-[Hydroxy-[(E)-3-Phenylprop-2-Enoyl]Amino]-1-Oxohexan-2-Yl]Amino]-2-Oxoethyl]-4-Oxobutanoic Acid
[CAS# 133705-26-7]

Identification

• Name: 2-Hydroxy-4-[[(2S)-1-Hydroxy-6-[Hydroxy-[(E)-3-Phenylprop-2-Enoyl]Amino]-1-Oxohexan-2-Yl]Amino]-2-[2-[[(2S)-1-Hydroxy-6-[Hydroxy-[(E)-3-Phenylprop-2-Enoyl]Amino]-1-Oxohexan-2-Yl]Amino]-2-Oxoethyl]-4-Oxobutanoic Acid
• Synonyms: 4-[[(1S)-1-Carboxy-5-[Hydroxy-[(E)-3-Phenylprop-2-Enoyl]Amino]Pentyl]Amino]-2-[2-[[(1S)-1-Carboxy-5-[Hydroxy-[(E)-3-Phenylprop-2-Enoyl]Amino]Pentyl]Amino]-2-Oxo-Ethyl]-2-Hydroxy-4-Oxo-Butanoic Acid; 4-[[(1S)-1-Carboxy-5-[Hydroxy-[(E)-1-Oxo-3-Phenylprop-2-Enyl]Amino]Pentyl]Amino]-2-[2-[[(1S)-1-Carboxy-5-[Hydroxy-[(E)-1-Oxo-3-Phenylprop-2-Enyl]Amino]Pentyl]Amino]-2-Oxoethyl]-2-Hydroxy-4-Oxobutanoic Acid; 4-[[(1S)-1-Carboxy-5-[Hydroxy-[(E)-3-Phenylacryloyl]Amino]Pentyl]Amino]-2-[2-[[(1S)-1-Carboxy-5-[Hydroxy-[(E)-3-Phenylacryloyl]Amino]Pentyl]Amino]-2-Keto-Ethyl]-2-Hydroxy-4-Keto-Butyric Acid
• Molecular Formula: C₃₆H₄₄N₄O₁₃
• Molecular Weight: 740.76
• CAS Registry Number: 133705-26-7
• SMILES: [C@H](C(=O)O)(NC(CC(CC(=O)N[C@H](C(=O)O)CCCCN(C(\C=C/C1=CC=CC=C1)=O)O)(O)C(=O)O)=O)CCCCN(C(\C=C\C2=CC=CC=C2)=O)O
• InChI: 1S/C36H44N4O13/c41-29(37-27(33(45)46)15-7-9-21-39(52)31(43)19-17-25-11-3-1-4-12-25)23-36(51,35(49)50)24-30(42)38-28(34(47)48)16-8-10-22-40(53)32(44)20-18-26-13-5-2-6-14-26/h1-6,11-14,17-20,27-28,51-53H,7-10,15-16,21-24H2,(H,37,41)(H,38,42)(H,45,46)(H,47,48)(H,49,50)/b19-17-,20-18+/t27-,28-,36?/m0/s1
• InChIKey: NJZHNIXLUZOOST-HUJFBYPLSA-N

Properties

• Density: 1.405g/cm³ (Cal.)