(2S)-2-Amino-5-[[(2R)-2-[[(3R)-3-Methoxy-2-Oxo-1-Sulfoazetidin-3-Yl]Amino]Propanoyl]Amino]-5-Oxopentanoic Acid
[CAS# 77912-79-9]

Identification

• Name: (2S)-2-Amino-5-[[(2R)-2-[[(3R)-3-Methoxy-2-Oxo-1-Sulfoazetidin-3-Yl]Amino]Propanoyl]Amino]-5-Oxopentanoic Acid
• Synonyms: (2S)-2-Amino-5-[[(2R)-2-[[(3R)-3-Methoxy-2-Oxo-1-Sulfo-Azetidin-3-Yl]Amino]Propanoyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(2R)-2-[[(3R)-3-Methoxy-2-Oxo-1-Sulfo-3-Azetidinyl]Amino]-1-Oxopropyl]Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-Keto-5-[[(2R)-2-[[(3R)-2-Keto-3-Methoxy-1-Sulfo-Azetidin-3-Yl]Amino]Propanoyl]Amino]Valeric Acid
• Molecular Formula: C₁₂H₂₀N₄O₉S
• Molecular Weight: 396.37
• CAS Registry Number: 77912-79-9
• SMILES: [C@]1(OC)(N[C@@H](C(=O)NC(=O)CC[C@H](N)C(=O)O)C)C(=O)N([S](=O)(=O)O)C1
• InChI: 1S/C12H20N4O9S/c1-6(9(18)14-8(17)4-3-7(13)10(19)20)15-12(25-2)5-16(11(12)21)26(22,23)24/h6-7,15H,3-5,13H2,1-2H3,(H,19,20)(H,14,17,18)(H,22,23,24)/t6-,7+,12-/m1/s1
• InChIKey: KCIKJWRMLAZSHN-KEHGIVTQSA-N

Properties

• Density: 1.628g/cm³ (Cal.)