(2S)-2-[[(2S)-3-Phenyl-2-(Phenylmethoxycarbonylamino)Propanoyl]Amino]Pentanedioic Acid
[CAS# 3617-46-7]

Identification

• Name: (2S)-2-[[(2S)-3-Phenyl-2-(Phenylmethoxycarbonylamino)Propanoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[(2S)-1-Oxo-2-[[Oxo-(Phenylmethoxy)Methyl]Amino]-3-Phenylpropyl]Amino]Pentanedioic Acid; (2S)-2-[[(2S)-2-(Benzyloxycarbonylamino)-3-Phenyl-Propanoyl]Amino]Glutaric Acid
• Molecular Formula: C₂₂H₂₄N₂O₇
• Molecular Weight: 428.44
• CAS Registry Number: 3617-46-7
• EINECS: 222-804-2
• SMILES: [C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)(NC(=O)OCC1=CC=CC=C1)CC2=CC=CC=C2
• InChI: 1S/C22H24N2O7/c25-19(26)12-11-17(21(28)29)23-20(27)18(13-15-7-3-1-4-8-15)24-22(30)31-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,23,27)(H,24,30)(H,25,26)(H,28,29)/t17-,18-/m0/s1
• InChIKey: SQXRAMCBXCVJQK-ROUUACIJSA-N

Properties

• Density: 1.325g/cm³ (Cal.)
• Boiling point: 748.406°C at 760 mmHg (Cal.)
• Flash point: 406.421°C (Cal.)