(2S)-5-[(2-Methyl-2-Propanyl)Oxy]-2-{[(3-Nitro-2-Pyridinyl)Sulfanyl]Amino}-5-Oxopentanoic Acid
[CAS# 108312-25-0]

Identification

• Name: (2S)-5-[(2-Methyl-2-Propanyl)Oxy]-2-{[(3-Nitro-2-Pyridinyl)Sulfanyl]Amino}-5-Oxopentanoic Acid
• Synonyms: (2S)-5-[(2-Methyl-2-propanyl)oxy]-2-{[(3-nitro-2-pyridinyl)sulfanyl]amino}-5-oxopentanoic acid (non-preferred name); (2S)-5-[(2-Methyl-2-propanyl)oxy]-2-{[(3-nitro-2-pyridinyl)sulfanyl]amino}-5-oxopentansäure (non-preferred name); Acide (2S)-5-[(2-méthyl-2-propanyl)oxy]-2-{[(3-nitro-2-pyridinyl)sulfanyl]amino}-5-oxopentanoïque (non-preferred name)
• Molecular Formula: C₁₄H₁₉N₃O₆S
• Molecular Weight: 357.38
• CAS Registry Number: 108312-25-0
• SMILES: CC(C)(C)OC(=O)CC[C@@H](C(=O)O)NSc1c(cccn1)[N+](=O)[O-]
• InChI: 1S/C14H19N3O6S/c1-14(2,3)23-11(18)7-6-9(13(19)20)16-24-12-10(17(21)22)5-4-8-15-12/h4-5,8-9,16H,6-7H2,1-3H3,(H,19,20)/t9-/m0/s1
• InChIKey: DZZKYCRBJSJURE-VIFPVBQESA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 547.9±60.0°C at 760 mmHg (Cal.)
• Flash point: 285.2±32.9°C (Cal.)
• Refractive index: 1.581 (Cal.)