(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]Amino]Acetyl]Amino]-3-[4-[(2E)-2-(6-Oxo-1-Cyclohexa-2,4-Dienylidene)Hydrazinyl]Phenyl]Propanoyl]Amino]-4-Methylpentanoic Acid
[CAS# 76995-91-0]

Identification

• Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]Amino]Acetyl]Amino]-3-[4-[(2E)-2-(6-Oxo-1-Cyclohexa-2,4-Dienylidene)Hydrazinyl]Phenyl]Propanoyl]Amino]-4-Methylpentanoic Acid
• Synonyms: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]Amino]Acetyl]Amino]-3-[4-[(N'e)-N'-(6-Oxo-1-Cyclohexa-2,4-Dienylidene)Hydrazino]Phenyl]Propanoyl]Amino]-4-Methyl-Pentanoic Acid; (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxoethyl]Amino]-1-Oxoethyl]Amino]-1-Oxo-3-[4-[(N'e)-N'-(6-Oxo-1-Cyclohexa-2,4-Dienylidene)Hydrazino]Phenyl]Propyl]Amino]-4-Methylpentanoic Acid; (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]Amino]Acetyl]Amino]-3-[4-[(N'e)-N'-(6-Keto-1-Cyclohexa-2,4-Dienylidene)Hydrazino]Phenyl]Propanoyl]Amino]-4-Methyl-Valeric Acid
• Molecular Formula: C₃₄H₄₁N₇O₈
• Molecular Weight: 675.74
• CAS Registry Number: 76995-91-0
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC3=CC=C(N\N=C2\C(=O)C=CC=C2)C=C3)(CC(C)C)C(O)=O
• InChI: 1S/C34H41N7O8/c1-20(2)15-28(34(48)49)39-33(47)27(17-22-7-11-23(12-8-22)40-41-26-5-3-4-6-29(26)43)38-31(45)19-36-30(44)18-37-32(46)25(35)16-21-9-13-24(42)14-10-21/h3-14,20,25,27-28,40,42H,15-19,35H2,1-2H3,(H,36,44)(H,37,46)(H,38,45)(H,39,47)(H,48,49)/b41-26+/t25-,27-,28-/m0/s1
• InChIKey: YJKYDWZEIDVFMC-OUICTGAUSA-N

Properties

• Density: 1.367g/cm³ (Cal.)