(E,4R)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Aminopropanoyl]Amino]-4-Methylpentanoyl]Amino]-4-Methylpentanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-5-Oxopent-2-Enoic Acid
[CAS# 140374-62-5]

Identification

• Name: (E,4R)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Aminopropanoyl]Amino]-4-Methylpentanoyl]Amino]-4-Methylpentanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-5-Oxopent-2-Enoic Acid
• Synonyms: (E,4R)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Aminopropanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-5-Oxo-Pent-2-Enoic Acid; (E,4R)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Amino-1-Oxopropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-5-Oxopent-2-Enoic Acid; (E,4R)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-(Alanylamino)-4-Methyl-Pentanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-5-Keto-Pent-2-Enoic Acid
• Molecular Formula: C₃₁H₄₄N₆O₇
• Molecular Weight: 612.72
• CAS Registry Number: 140374-62-5
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](N)C)CC(C)C)CC(C)C)(CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@H](\C=C\C(=O)O)C=O
• InChI: 1S/C31H44N6O7/c1-17(2)12-24(35-28(41)19(5)32)30(43)36-25(13-18(3)4)31(44)37-26(29(42)34-21(16-38)10-11-27(39)40)14-20-15-33-23-9-7-6-8-22(20)23/h6-11,15-19,21,24-26,33H,12-14,32H2,1-5H3,(H,34,42)(H,35,41)(H,36,43)(H,37,44)(H,39,40)/b11-10+/t19-,21+,24+,25-,26+/m0/s1
• InChIKey: ZWYUXHVDMBMPRH-HEZMLDQGSA-N

Properties

• Density: 1.233g/cm³ (Cal.)
• Boiling point: 1020.178°C at 760 mmHg (Cal.)
• Flash point: 570.783°C (Cal.)