(2S)-1-[(2R)-2-Amino-3-Phenylpropanoyl]-N-[(2S)-3-Methyl-2-[(2-Oxopiperidin-3-Yl)Amino]Butanoyl]Pyrrolidine-2-Carboxamide
[CAS# 107759-05-7]

Identification

• Name: (2S)-1-[(2R)-2-Amino-3-Phenylpropanoyl]-N-[(2S)-3-Methyl-2-[(2-Oxopiperidin-3-Yl)Amino]Butanoyl]Pyrrolidine-2-Carboxamide
• Synonyms: (2S)-1-[(2R)-2-Amino-3-Phenyl-Propanoyl]-N-[(2S)-3-Methyl-2-[(2-Oxo-3-Piperidyl)Amino]Butanoyl]Pyrrolidine-2-Carboxamide; (2S)-1-[(2R)-2-Amino-1-Oxo-3-Phenylpropyl]-N-[(2S)-3-Methyl-1-Oxo-2-[(2-Oxo-3-Piperidinyl)Amino]Butyl]-2-Pyrrolidinecarboxamide; (2S)-1-[(2R)-2-Amino-3-Phenyl-Propanoyl]-N-[(2S)-2-[(2-Keto-3-Piperidyl)Amino]-3-Methyl-Butanoyl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₂₄H₃₅N₅O₄
• Molecular Weight: 457.57
• CAS Registry Number: 107759-05-7
• SMILES: [C@H](C(=O)NC([C@H]1N(CCC1)C([C@H](N)CC2=CC=CC=C2)=O)=O)(NC3C(NCCC3)=O)C(C)C
• InChI: 1S/C24H35N5O4/c1-15(2)20(27-18-10-6-12-26-21(18)30)23(32)28-22(31)19-11-7-13-29(19)24(33)17(25)14-16-8-4-3-5-9-16/h3-5,8-9,15,17-20,27H,6-7,10-14,25H2,1-2H3,(H,26,30)(H,28,31,32)/t17-,18?,19+,20+/m1/s1
• InChIKey: XGPNOHXLVFPQBI-OFURLBHNSA-N

Properties

• Density: 1.239g/cm³ (Cal.)
• Boiling point: 739.797°C at 760 mmHg (Cal.)
• Flash point: 401.215°C (Cal.)