2-Amino-3-[(3E)-3-[[4-[(2S)-2-Amino-3-[[(2S)-1-[2-(2-Iminoethylamino)Acetyl]Oxy-4-Methyl-1-Oxopent-3-En-2-Yl]Amino]-3-Oxopropyl]Phenyl]Hydrazinylidene]-4-Oxo-1-Cyclohexa-1,5-Dienyl]Propanoic Acid
[CAS# 76995-89-6]

Identification

• Name: 2-Amino-3-[(3E)-3-[[4-[(2S)-2-Amino-3-[[(2S)-1-[2-(2-Iminoethylamino)Acetyl]Oxy-4-Methyl-1-Oxopent-3-En-2-Yl]Amino]-3-Oxopropyl]Phenyl]Hydrazinylidene]-4-Oxo-1-Cyclohexa-1,5-Dienyl]Propanoic Acid
• Synonyms: 2-Amino-3-[(3E)-3-[[4-[(2S)-2-Amino-3-[[(1S)-1-[2-(2-Iminoethylamino)Acetyl]Oxycarbonyl-3-Methyl-But-2-Enyl]Amino]-3-Oxo-Propyl]Phenyl]Hydrazono]-4-Oxo-1-Cyclohexa-1,5-Dienyl]Propanoic Acid; 2-Amino-3-[(3E)-3-[[4-[(2S)-2-Amino-3-[[(1S)-1-[[2-(2-Iminoethylamino)-1-Oxoethoxy]-Oxomethyl]-3-Methylbut-2-Enyl]Amino]-3-Oxopropyl]Phenyl]Hydrazono]-4-Oxo-1-Cyclohexa-1,5-Dienyl]Propanoic Acid; 2-Amino-3-[(3E)-3-[[4-[(2S)-2-Amino-3-[[(1S)-1-[2-(2-Iminoethylamino)Acetyl]Oxycarbonyl-3-Methyl-But-2-Enyl]Amino]-3-Keto-Propyl]Phenyl]Hydrazono]-4-Keto-1-Cyclohexa-1,5-Dienyl]Propionic Acid
• Molecular Formula: C₂₈H₃₅N₇O₇
• Molecular Weight: 581.63
• CAS Registry Number: 76995-89-6
• SMILES: [C@H](N)(CC2=CC=C(N\N=C\1C=C(CC(N)C(O)=O)C=CC1=O)C=C2)C(=O)N[C@@H](C=C(C)C)C(OC(=O)CNCC=N)=O
• InChI: 1S/C28H35N7O7/c1-16(2)11-23(28(41)42-25(37)15-32-10-9-29)33-26(38)20(30)12-17-3-6-19(7-4-17)34-35-22-14-18(5-8-24(22)36)13-21(31)27(39)40/h3-9,11,14,20-21,23,29,32,34H,10,12-13,15,30-31H2,1-2H3,(H,33,38)(H,39,40)/b29-9?,35-22+/t20-,21?,23-/m0/s1
• InChIKey: RVCMNQMJLJOVLN-LFYXAKJSSA-N

Properties

• Density: 1.375g/cm³ (Cal.)