(E,2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-Aminopropanoyl]Amino]-3-Phenylpropanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-N-[(2S)-3-Methyl-1-Oxo-1-[[(2S)-1-Oxo-3-Phenylpropan-2-Yl]Amino]Butan-2-Yl]Hex-4-Enamide
[CAS# 156586-93-5]

Identification

• Name: (E,2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-Aminopropanoyl]Amino]-3-Phenylpropanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-N-[(2S)-3-Methyl-1-Oxo-1-[[(2S)-1-Oxo-3-Phenylpropan-2-Yl]Amino]Butan-2-Yl]Hex-4-Enamide
• Synonyms: (E,2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-Aminopropanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-N-[(1S)-1-[[(1S)-1-Formyl-2-Phenyl-Ethyl]Carbamoyl]-2-Methyl-Propyl]Hex-4-Enamide; (E,2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-Amino-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-N-[(1S)-1-[[[(1S)-1-Formyl-2-Phenylethyl]Amino]-Oxomethyl]-2-Methylpropyl]Hex-4-Enamide; (E,2S)-2-[[(2S)-2-[[(2S)-2-(Alanylamino)-3-Phenyl-Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-6-Amino-N-[(1S)-1-[[(1S)-1-(Benzyl)-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Propyl]Hex-4-Enamide
• Molecular Formula: C₄₃H₅₄N₈O₆
• Molecular Weight: 778.95
• CAS Registry Number: 156586-93-5
• SMILES: [C@H](C=O)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](N)C)=O)CC1=CC=CC=C1)=O)CC2=C[NH]C3=CC=CC=C23)=O)C\C=C\CN)=O)C(C)C)=O)CC4=CC=CC=C4
• InChI: 1S/C43H54N8O6/c1-27(2)38(43(57)47-32(26-52)22-29-14-6-4-7-15-29)51-40(54)35(20-12-13-21-44)48-42(56)37(24-31-25-46-34-19-11-10-18-33(31)34)50-41(55)36(49-39(53)28(3)45)23-30-16-8-5-9-17-30/h4-19,25-28,32,35-38,46H,20-24,44-45H2,1-3H3,(H,47,57)(H,48,56)(H,49,53)(H,50,55)(H,51,54)/b13-12+/t28-,32+,35+,36+,37+,38+/m1/s1
• InChIKey: QPXCNWUMSXMCKP-KVAXFTCXSA-N

Properties

• Density: 1.23g/cm³ (Cal.)
• Boiling point: 1162.953°C at 760 mmHg (Cal.)
• Flash point: 657.13°C (Cal.)