(2S)-1-[(3S)-3-[[(3S)-3-Amino-4-Hydroxy-4-Oxobutyl]Amino]-4-Hydroxy-4-Oxobutyl]Azetidine-2-Carboxylic Acid
[CAS# 34441-14-0]

Identification

• Name: (2S)-1-[(3S)-3-[[(3S)-3-Amino-4-Hydroxy-4-Oxobutyl]Amino]-4-Hydroxy-4-Oxobutyl]Azetidine-2-Carboxylic Acid
• Synonyms: (2S)-1-[(3S)-3-[[(3S)-3-Amino-4-Hydroxy-4-Oxo-Butyl]Amino]-4-Hydroxy-4-Oxo-Butyl]Azetidine-2-Carboxylic Acid; (2S)-1-[(3S)-3-[[(3S)-3-Amino-4-Hydroxy-4-Oxobutyl]Amino]-4-Hydroxy-4-Oxobutyl]-2-Azetidinecarboxylic Acid; (2S)-1-[(3S)-3-[[(3S)-3-Amino-4-Hydroxy-4-Keto-Butyl]Amino]-4-Hydroxy-4-Keto-Butyl]Azetidine-2-Carboxylic Acid
• Molecular Formula: C₁₂H₂₁N₃O₆
• Molecular Weight: 303.31
• CAS Registry Number: 34441-14-0
• SMILES: [C@@H]1(N(CC1)CC[C@H](NCC[C@H](N)C(=O)O)C(=O)O)C(=O)O
• InChI: 1S/C12H21N3O6/c13-7(10(16)17)1-4-14-8(11(18)19)2-5-15-6-3-9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1
• InChIKey: KRGPXXHMOXVMMM-CIUDSAMLSA-N

Properties

• Density: 1.421g/cm³ (Cal.)
• Boiling point: 633.308°C at 760 mmHg (Cal.)
• Flash point: 336.813°C (Cal.)

References

• (1): Aleksandra Trampczynska, Hendrik Küpper, Wolfram Meyer-Klaucke, Holger Schmidt and Stephan Clemens. Nicotianamine forms complexes with Zn(ii)in vivo, Metallomics, 2010, 2, 57.