(4R)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Aminopropanoyl]Amino]-3-Methylbutanoyl]Amino]-3-Methylbut-3-Enoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-5-Oxopentanoic Acid
[CAS# 140374-63-6]

Identification

• Name: (4R)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Aminopropanoyl]Amino]-3-Methylbutanoyl]Amino]-3-Methylbut-3-Enoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-5-Oxopentanoic Acid
• Synonyms: (4R)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Aminopropanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Methyl-But-3-Enoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-5-Oxo-Pentanoic Acid; (4R)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Amino-1-Oxopropyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-3-Methyl-1-Oxobut-3-Enyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-5-Oxopentanoic Acid; (4R)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-(Alanylamino)-3-Methyl-Butanoyl]Amino]-3-Methyl-But-3-Enoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₂₉H₄₀N₆O₇
• Molecular Weight: 584.67
• CAS Registry Number: 140374-63-6
• SMILES: [C@@H](C=O)(NC([C@H](NC([C@@H](NC([C@H](NC([C@@H](N)C)=O)C(C)C)=O)C(=C)C)=O)CC1=C[NH]C2=CC=CC=C12)=O)CCC(=O)O
• InChI: 1S/C29H40N6O7/c1-15(2)24(35-29(42)25(16(3)4)34-26(39)17(5)30)28(41)33-22(27(40)32-19(14-36)10-11-23(37)38)12-18-13-31-21-9-7-6-8-20(18)21/h6-9,13-14,16-17,19,22,24-25,31H,1,10-12,30H2,2-5H3,(H,32,40)(H,33,41)(H,34,39)(H,35,42)(H,37,38)/t17-,19+,22+,24-,25+/m0/s1
• InChIKey: GIWOOCFNDNBDNS-QOTWGDGUSA-N

Properties

• Density: 1.258g/cm³ (Cal.)
• Boiling point: 1012.488°C at 760 mmHg (Cal.)
• Flash point: 566.132°C (Cal.)