L-Alanyl-N-[(1S)-3-Chloro-2-Oxo-1-(Phenylmethyl)Propyl]-L-Alaninamide
[CAS# 102129-66-8]

Identification

• Name: L-Alanyl-N-[(1S)-3-Chloro-2-Oxo-1-(Phenylmethyl)Propyl]-L-Alaninamide
• Synonyms: (2S)-N-[(2S)-2-Aminopropanoyl]-2-[[(1S)-3-Chloro-2-Oxo-1-(Phenylmethyl)Propyl]Amino]Propanamide; (2S)-N-[(2S)-2-Amino-1-Oxopropyl]-2-[[(1S)-3-Chloro-2-Oxo-1-(Phenylmethyl)Propyl]Amino]Propanamide; (2S)-N-Alanyl-2-[[(1S)-1-(Benzyl)-3-Chloro-2-Keto-Propyl]Amino]Propionamide
• Molecular Formula: C₁₆H₂₂ClN₃O₃
• Molecular Weight: 339.82
• CAS Registry Number: 102129-66-8
• SMILES: [C@@H](N[C@H](C(=O)NC(=O)[C@@H](N)C)C)(C(=O)CCl)CC1=CC=CC=C1
• InChI: 1S/C16H22ClN3O3/c1-10(18)15(22)20-16(23)11(2)19-13(14(21)9-17)8-12-6-4-3-5-7-12/h3-7,10-11,13,19H,8-9,18H2,1-2H3,(H,20,22,23)/t10-,11-,13-/m0/s1
• InChIKey: TXTWGNHCLZWABT-GVXVVHGQSA-N

Properties

• Density: 1.216g/cm³ (Cal.)
• Boiling point: 508.885°C at 760 mmHg (Cal.)
• Flash point: 261.564°C (Cal.)