[(E)-5-[Hydroxy-[3-[(2S,5S)-5-[3-[Hydroxy-[(E)-5-Hydroxy-3-Methylpent-2-Enoyl]Amino]Propyl]-3,6-Dioxopiperazin-2-Yl]Propyl]Amino]-3-Methyl-5-Oxopent-3-Enyl] (2S)-2-Acetamido-5-(Acetyl-Hydroxyamino)Pentanoate
[CAS# 77165-75-4]

Identification

• Name: [(E)-5-[Hydroxy-[3-[(2S,5S)-5-[3-[Hydroxy-[(E)-5-Hydroxy-3-Methylpent-2-Enoyl]Amino]Propyl]-3,6-Dioxopiperazin-2-Yl]Propyl]Amino]-3-Methyl-5-Oxopent-3-Enyl] (2S)-2-Acetamido-5-(Acetyl-Hydroxyamino)Pentanoate
• Synonyms: [(E)-5-[Hydroxy-[3-[(2S,5S)-5-[3-[Hydroxy-[(E)-5-Hydroxy-3-Methyl-Pent-2-Enoyl]Amino]Propyl]-3,6-Dioxo-Piperazin-2-Yl]Propyl]Amino]-3-Methyl-5-Oxo-Pent-3-Enyl] (2S)-2-Acetamido-5-(Acetyl-Hydroxy-Amino)Pentanoate; (2S)-2-Acetamido-5-(Acetyl-Hydroxyamino)Pentanoic Acid [(E)-5-[Hydroxy-[3-[(2S,5S)-5-[3-[Hydroxy-[(E)-5-Hydroxy-3-Methyl-1-Oxopent-2-Enyl]Amino]Propyl]-3,6-Dioxo-2-Piperazinyl]Propyl]Amino]-3-Methyl-5-Oxopent-3-Enyl] Ester; (2S)-2-Acetamido-5-(Acetyl-Hydroxy-Amino)Valeric Acid [(E)-5-[Hydroxy-[3-[(2S,5S)-5-[3-[Hydroxy-[(E)-5-Hydroxy-3-Methyl-Pent-2-Enoyl]Amino]Propyl]-3,6-Diketo-Piperazin-2-Yl]Propyl]Amino]-5-Keto-3-Methyl-Pent-3-Enyl] Ester
• Molecular Formula: C₃₁H₅₀N₆O₁₂
• Molecular Weight: 698.77
• CAS Registry Number: 77165-75-4
• SMILES: [C@H]1(NC(=O)[C@@H](NC1=O)CCCN(O)C(=O)\C=C(\CCO)C)CCCN(O)C(=O)\C=C(\CCOC(=O)[C@@H](NC(=O)C)CCCN(O)C(=O)C)C
• InChI: 1S/C31H50N6O12/c1-20(11-16-38)18-27(41)36(47)14-5-8-24-29(43)34-25(30(44)33-24)9-6-15-37(48)28(42)19-21(2)12-17-49-31(45)26(32-22(3)39)10-7-13-35(46)23(4)40/h18-19,24-26,38,46-48H,5-17H2,1-4H3,(H,32,39)(H,33,44)(H,34,43)/b20-18+,21-19+/t24-,25-,26-/m0/s1
• InChIKey: KUQNMRIRPYKLEZ-XUSACOFSSA-N