[(2R)-3,6-Dioxopiperazin-2-Yl]Methyl (2R,4R)-2-[[(2S)-3-(2-Chloro-3-Hydroxy-4-Methoxyphenyl)-2-Methylaminopropanoyl]-Methylamino]-5-(4-Hydroxyphenyl)-3-Oxo-4-[[(E)-3-[2-[(E)-Pent-2-Enyl]Phenyl]Prop-2-Enoyl]Amino]-2-(Phenylmethyl)Pentanoate
[CAS# 147317-36-0]

Identification

• Name: [(2R)-3,6-Dioxopiperazin-2-Yl]Methyl (2R,4R)-2-[[(2S)-3-(2-Chloro-3-Hydroxy-4-Methoxyphenyl)-2-Methylaminopropanoyl]-Methylamino]-5-(4-Hydroxyphenyl)-3-Oxo-4-[[(E)-3-[2-[(E)-Pent-2-Enyl]Phenyl]Prop-2-Enoyl]Amino]-2-(Phenylmethyl)Pentanoate
• Synonyms: [(2R)-3,6-Dioxopiperazin-2-Yl]Methyl (2R,4R)-2-[[(2S)-3-(2-Chloro-3-Hydroxy-4-Methoxy-Phenyl)-2-Methylamino-Propanoyl]-Methyl-Amino]-5-(4-Hydroxyphenyl)-3-Oxo-4-[[(E)-3-[2-[(E)-Pent-2-Enyl]Phenyl]Prop-2-Enoyl]Amino]-2-(Phenylmethyl)Pentanoate; (2R,4R)-2-[[(2S)-3-(2-Chloro-3-Hydroxy-4-Methoxyphenyl)-2-Methylamino-1-Oxopropyl]-Methylamino]-5-(4-Hydroxyphenyl)-3-Oxo-4-[[(E)-1-Oxo-3-[2-[(E)-Pent-2-Enyl]Phenyl]Prop-2-Enyl]Amino]-2-(Phenylmethyl)Pentanoic Acid [(2R)-3,6-Dioxo-2-Piperazinyl]Methyl Ester; (2R,4R)-2-(Benzyl)-2-[[(2S)-3-(2-Chloro-3-Hydroxy-4-Methoxy-Phenyl)-2-Methylamino-Propanoyl]-Methyl-Amino]-5-(4-Hydroxyphenyl)-3-Keto-4-[[(E)-3-[2-[(E)-Pent-2-Enyl]Phenyl]Acryloyl]Amino]Valeric Acid [(2R)-3,6-Diketopiperazin-2-Yl]Methyl Ester
• Molecular Formula: C₄₉H₅₄ClN₅O₁₀
• Molecular Weight: 908.45
• CAS Registry Number: 147317-36-0
• SMILES: [C@](N(C(=O)[C@@H](NC)CC1=C(Cl)C(=C(OC)C=C1)O)C)(C(=O)[C@H](NC(=O)\C=C\C2=CC=CC=C2C\C=C\CC)CC3=CC=C(O)C=C3)(C(OC[C@H]4NC(=O)CNC4=O)=O)CC5=CC=CC=C5
• InChI: 1S/C49H54ClN5O10/c1-5-6-8-15-33-16-11-12-17-34(33)21-25-41(57)53-37(26-31-18-22-36(56)23-19-31)45(60)49(28-32-13-9-7-10-14-32,48(63)65-30-39-46(61)52-29-42(58)54-39)55(3)47(62)38(51-2)27-35-20-24-40(64-4)44(59)43(35)50/h6-14,16-25,37-39,51,56,59H,5,15,26-30H2,1-4H3,(H,52,61)(H,53,57)(H,54,58)/b8-6+,25-21+/t37-,38+,39-,49-/m1/s1
• InChIKey: SGXHOALVNXPUDW-AZFZHSADSA-N

Properties

• Density: 1.284g/cm³ (Cal.)
• Boiling point: 1124.293°C at 760 mmHg (Cal.)
• Flash point: 633.749°C (Cal.)