(2R)-4-(1,3-Dioxobenzo[f]Isoindol-2-Yl)-2-[[(2S)-4-Methyl-1-[[(2S)-2-Methylamino-3-Phenylpropanoyl]Amino]-1-Oxopentan-2-Yl]Amino]Butanoic Acid
[CAS# 154296-67-0]

Identification

• Name: (2R)-4-(1,3-Dioxobenzo[f]Isoindol-2-Yl)-2-[[(2S)-4-Methyl-1-[[(2S)-2-Methylamino-3-Phenylpropanoyl]Amino]-1-Oxopentan-2-Yl]Amino]Butanoic Acid
• Synonyms: (2R)-4-(1,3-Dioxobenzo[F]Isoindol-2-Yl)-2-[[(1S)-3-Methyl-1-[[(2S)-2-Methylamino-3-Phenyl-Propanoyl]Carbamoyl]Butyl]Amino]Butanoic Acid; (2R)-4-(1,3-Dioxo-2-Benzo[F]Isoindolyl)-2-[[(1S)-3-Methyl-1-[[[(2S)-2-Methylamino-1-Oxo-3-Phenylpropyl]Amino]-Oxomethyl]Butyl]Amino]Butanoic Acid; (2R)-4-(1,3-Diketobenzo[F]Isoindol-2-Yl)-2-[[(1S)-3-Methyl-1-[[(2S)-2-Methylamino-3-Phenyl-Propanoyl]Carbamoyl]Butyl]Amino]Butyric Acid
• Molecular Formula: C₃₂H₃₆N₄O₆
• Molecular Weight: 572.66
• CAS Registry Number: 154296-67-0
• SMILES: [C@H](C(=O)NC([C@@H](N[C@H](CCN1C(C2=C(C1=O)C=C3C(=C2)C=CC=C3)=O)C(=O)O)CC(C)C)=O)(NC)CC4=CC=CC=C4
• InChI: 1S/C32H36N4O6/c1-19(2)15-27(29(38)35-28(37)26(33-3)16-20-9-5-4-6-10-20)34-25(32(41)42)13-14-36-30(39)23-17-21-11-7-8-12-22(21)18-24(23)31(36)40/h4-12,17-19,25-27,33-34H,13-16H2,1-3H3,(H,41,42)(H,35,37,38)/t25-,26+,27+/m1/s1
• InChIKey: VCEJALSBINQHFE-PVHODMMVSA-N

Properties

• Density: 1.273g/cm³ (Cal.)
• Boiling point: 794.773°C at 760 mmHg (Cal.)
• Flash point: 434.463°C (Cal.)