3-[[Amino[4-(3-Amino-3-Carboxypropoxy)Phenyl]Acetyl]Amino]-alpha-(4-Hydroxyphenyl)-2-Oxo-1-Azetidineacetic Acid
[CAS# 59511-12-5]

Identification

• Name: 3-[[Amino[4-(3-Amino-3-Carboxypropoxy)Phenyl]Acetyl]Amino]-alpha-(4-Hydroxyphenyl)-2-Oxo-1-Azetidineacetic Acid
• Synonyms: 2-Amino-4-[4-[1-Amino-2-[[1-[2-Hydroxy-1-(4-Hydroxyphenyl)-2-Oxo-Ethyl]-2-Oxo-Azetidin-3-Yl]Amino]-2-Oxo-Ethyl]Phenoxy]Butanoic Acid; 2-Amino-4-[4-[1-Amino-2-[[1-[2-Hydroxy-1-(4-Hydroxyphenyl)-2-Oxoethyl]-2-Oxo-3-Azetidinyl]Amino]-2-Oxoethyl]Phenoxy]Butanoic Acid; 2-Amino-4-[4-[1-Amino-2-[[1-[2-Hydroxy-1-(4-Hydroxyphenyl)-2-Keto-Ethyl]-2-Keto-Azetidin-3-Yl]Amino]-2-Keto-Ethyl]Phenoxy]Butyric Acid
• Molecular Formula: C₂₃H₂₆N₄O₈
• Molecular Weight: 486.48
• CAS Registry Number: 59511-12-5
• SMILES: C1=CC(=CC=C1C(N2C(=O)C(C2)NC(C(C3=CC=C(C=C3)OCCC(C(=O)O)N)N)=O)C(=O)O)O
• InChI: 1S/C23H26N4O8/c24-16(22(31)32)9-10-35-15-7-3-12(4-8-15)18(25)20(29)26-17-11-27(21(17)30)19(23(33)34)13-1-5-14(28)6-2-13/h1-8,16-19,28H,9-11,24-25H2,(H,26,29)(H,31,32)(H,33,34)
• InChIKey: CWTCWGGPTVMMLT-UHFFFAOYSA-N

Properties

• Density: 1.526g/cm³ (Cal.)
• Boiling point: 925.423°C at 760 mmHg (Cal.)
• Flash point: 513.478°C (Cal.)