(2S)-2-Acetamido-N-[(3S)-7-Amino-1-Chloro-2-Oxoheptan-3-Yl]-3-Phenylpropanamide
[CAS# 76157-63-6]

Identification

• Name: (2S)-2-Acetamido-N-[(3S)-7-Amino-1-Chloro-2-Oxoheptan-3-Yl]-3-Phenylpropanamide
• Synonyms: (2S)-2-Acetamido-N-[(1S)-5-Amino-1-(2-Chloroacetyl)Pentyl]-3-Phenyl-Propanamide; (2S)-2-Acetamido-N-[(1S)-5-Amino-1-(2-Chloro-1-Oxoethyl)Pentyl]-3-Phenylpropanamide; (2S)-2-Acetamido-N-[(1S)-5-Amino-1-(2-Chloroacetyl)Pentyl]-3-Phenyl-Propionamide
• Molecular Formula: C₁₈H₂₆ClN₃O₃
• Molecular Weight: 367.87
• CAS Registry Number: 76157-63-6
• SMILES: [C@@H](C(=O)N[C@@H](CCCCN)C(=O)CCl)(CC1=CC=CC=C1)NC(=O)C
• InChI: 1S/C18H26ClN3O3/c1-13(23)21-16(11-14-7-3-2-4-8-14)18(25)22-15(17(24)12-19)9-5-6-10-20/h2-4,7-8,15-16H,5-6,9-12,20H2,1H3,(H,21,23)(H,22,25)/t15-,16-/m0/s1
• InChIKey: NFWHCRXYRQNWPY-HOTGVXAUSA-N

Properties

• Density: 1.179g/cm³ (Cal.)
• Boiling point: 678.215°C at 760 mmHg (Cal.)
• Flash point: 363.971°C (Cal.)