(4R)-4-Amino-5-[(2S)-2-[[(2R)-1-[[(2S)-1-[[(2R)-1-(1H-Indol-3-Yl)-3-Oxopropan-2-Yl]Amino]-4-Methyl-1-Oxopent-4-En-2-Yl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Carbamoyl]Pyrrolidin-1-Yl]-5-Oxopentanoic Acid
[CAS# 136553-76-9]

Identification

• Name: (4R)-4-Amino-5-[(2S)-2-[[(2R)-1-[[(2S)-1-[[(2R)-1-(1H-Indol-3-Yl)-3-Oxopropan-2-Yl]Amino]-4-Methyl-1-Oxopent-4-En-2-Yl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Carbamoyl]Pyrrolidin-1-Yl]-5-Oxopentanoic Acid
• Synonyms: (4R)-4-Amino-5-[(2S)-2-[[(1R)-1-[[(1S)-1-[[(1R)-1-Formyl-2-(1H-Indol-3-Yl)Ethyl]Carbamoyl]-3-Methyl-But-3-Enyl]Carbamoyl]-2-Methyl-Propyl]Carbamoyl]Pyrrolidin-1-Yl]-5-Oxo-Pentanoic Acid; (4R)-4-Amino-5-[(2S)-2-[[[(1R)-1-[[[(1S)-1-[[[(1R)-1-Formyl-2-(1H-Indol-3-Yl)Ethyl]Amino]-Oxomethyl]-3-Methylbut-3-Enyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-5-Oxopentanoic Acid; (4R)-4-Amino-5-[(2S)-2-[[(1R)-1-[[(1S)-1-[[(1R)-1-Formyl-2-(1H-Indol-3-Yl)Ethyl]Carbamoyl]-3-Methyl-But-3-Enyl]Carbamoyl]-2-Methyl-Propyl]Carbamoyl]Pyrrolidin-1-Yl]-5-Keto-Valeric Acid
• Molecular Formula: C₃₂H₄₄N₆O₇
• Molecular Weight: 624.74
• CAS Registry Number: 136553-76-9
• SMILES: [C@@H](C=O)(NC([C@@H](NC([C@H](NC([C@H]1N(CCC1)C([C@H](N)CCC(=O)O)=O)=O)C(C)C)=O)CC(C)=C)=O)CC2=C[NH]C3=CC=CC=C23
• InChI: 1S/C32H44N6O7/c1-18(2)14-25(29(42)35-21(17-39)15-20-16-34-24-9-6-5-8-22(20)24)36-31(44)28(19(3)4)37-30(43)26-10-7-13-38(26)32(45)23(33)11-12-27(40)41/h5-6,8-9,16-17,19,21,23,25-26,28,34H,1,7,10-15,33H2,2-4H3,(H,35,42)(H,36,44)(H,37,43)(H,40,41)/t21-,23-,25+,26+,28-/m1/s1
• InChIKey: QGTFISXASKMOQM-MPPIKMIVSA-N

Properties

• Density: 1.268g/cm³ (Cal.)
• Boiling point: 993.528°C at 760 mmHg (Cal.)
• Flash point: 554.666°C (Cal.)