(2S)-1-[(2S)-2-[[(2S)-2-[(2-Chloroacetyl)Amino]Propanoyl]Amino]-3-Phenyl-Propanoyl]Pyrrolidine-2-Carboxamide
[CAS# 81500-68-7]

Identification

• Name: (2S)-1-[(2S)-2-[[(2S)-2-[(2-Chloroacetyl)Amino]Propanoyl]Amino]-3-Phenyl-Propanoyl]Pyrrolidine-2-Carboxamide
• Synonyms: (2S)-1-[(2S)-2-[[(2S)-2-[(2-Chloroacetyl)Amino]Propanoyl]Amino]-3-Phenyl-Propanoyl]Pyrrolidine-2-Carboxamide; (2S)-1-[(2S)-2-[[(2S)-2-[(2-Chloro-1-Oxoethyl)Amino]-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]-2-Pyrrolidinecarboxamide; (2S)-1-[(2S)-2-[[(2S)-2-(2-Chloroethanoylamino)Propanoyl]Amino]-3-Phenyl-Propanoyl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₁₉H₂₅ClN₄O₄
• Molecular Weight: 408.88
• CAS Registry Number: 81500-68-7
• SMILES: [C@H]1(C(=O)N)N(CCC1)C([C@@H](NC([C@@H](NC(=O)CCl)C)=O)CC2=CC=CC=C2)=O
• InChI: 1S/C19H25ClN4O4/c1-12(22-16(25)11-20)18(27)23-14(10-13-6-3-2-4-7-13)19(28)24-9-5-8-15(24)17(21)26/h2-4,6-7,12,14-15H,5,8-11H2,1H3,(H2,21,26)(H,22,25)(H,23,27)/t12-,14-,15-/m0/s1
• InChIKey: MXTZEJWACBIJRW-QEJZJMRPSA-N

Properties

• Density: 1.305g/cm³ (Cal.)
• Boiling point: 803.864°C at 760 mmHg (Cal.)
• Flash point: 439.961°C (Cal.)