(3S,alphar)-3-[[[(Z)-Hydroxyimino](4-Hydroxyphenyl)Acetyl]Amino]-alpha-(4-Hydroxyphenyl)-2-Oxo-1-Azetidineacetic Acid
[CAS# 63555-59-9]

Identification

• Name: (3S,alphar)-3-[[[(Z)-Hydroxyimino](4-Hydroxyphenyl)Acetyl]Amino]-alpha-(4-Hydroxyphenyl)-2-Oxo-1-Azetidineacetic Acid
• Synonyms: (2R)-2-[(3S)-3-[[2-(Hydroxyamino)-2-(4-Oxo-1-Cyclohexa-2,5-Dienylidene)Acetyl]Amino]-2-Oxo-Azetidin-1-Yl]-2-(4-Hydroxyphenyl)Acetic Acid; (2R)-2-[(3S)-3-[[2-(Hydroxyamino)-1-Oxo-2-(4-Oxo-1-Cyclohexa-2,5-Dienylidene)Ethyl]Amino]-2-Oxo-1-Azetidinyl]-2-(4-Hydroxyphenyl)Acetic Acid; (2R)-2-[(3S)-3-[[2-(Hydroxyamino)-2-(4-Keto-1-Cyclohexa-2,5-Dienylidene)Acetyl]Amino]-2-Keto-Azetidin-1-Yl]-2-(4-Hydroxyphenyl)Acetic Acid
• Molecular Formula: C₁₉H₁₇N₃O₇
• Molecular Weight: 399.36
• CAS Registry Number: 63555-59-9 (63598-46-9)
• SMILES: [C@H]2(NC(=O)C(NO)=C1C=CC(=O)C=C1)CN(C2=O)[C@H](C3=CC=C(O)C=C3)C(O)=O
• InChI: 1S/C19H17N3O7/c23-12-5-1-10(2-6-12)15(21-29)17(25)20-14-9-22(18(14)26)16(19(27)28)11-3-7-13(24)8-4-11/h1-8,14,16,21,24,29H,9H2,(H,20,25)(H,27,28)/t14-,16+/m0/s1
• InChIKey: KZFIBFQUCBWFAX-GOEBONIOSA-N

Properties

• Density: 1.616g/cm³ (Cal.)