(2S,5R,6R)-6-{[(2R)-2-{[(6-{4-[Bis(2-hydroxyethyl)sulfamoyl]phenyl}-2-oxo-1,2-dihydro-3-pyridinyl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane- 2-carboxylic acid
[CAS# 69414-41-1]

Identification

• Name: (2S,5R,6R)-6-{[(2R)-2-{[(6-{4-[Bis(2-hydroxyethyl)sulfamoyl]phenyl}-2-oxo-1,2-dihydro-3-pyridinyl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane- 2-carboxylic acid
• Synonyms: (2S,5R,6R)-6-(((2R)-2-(((6-(4-((Bis(2-hydroxyethyl)amino)sulfonyl)phenyl)-2-oxo-1,2-dihydro-3-pyridinyl)carbonyl)amino)-2-(4-hydroxyphenyl)acetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]he; [2S-[2a,5a,6b(S*)]]-6-[[[[[6-[4-[[Bis(2-hydroxyethyl)amino]sulfonyl]phenyl]-1,2-dihydro-2-oxo-3-pyridinyl]carbonyl]amino](4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hep; ptane-2-carboxylic Acid
• Molecular Formula: C₃₂H₃₅N₅O₁₁S₂
• Molecular Weight: 729.78
• CAS Registry Number: 69414-41-1
• SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)NC(=O)C4=CC=C(NC4=O)C5=CC=C(C=C5)S(=O)(=O)N(CCO)CCO)C(=O)O)C
• InChI: 1S/C32H35N5O11S2/c1-32(2)25(31(45)46)37-29(44)24(30(37)49-32)35-28(43)23(18-3-7-19(40)8-4-18)34-27(42)21-11-12-22(33-26(21)41)17-5-9-20(10-6-17)50(47,48)36(13-15-38)14-16-39/h3-12,23-25,30,38-40H,13-16H2,1-2H3,(H,33,41)(H,34,42)(H,35,43)(H,45,46)/t23-,24-,25+,30-/m1/s1
• InChIKey: NAALWFYYHHJEFQ-ZASNTINBSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)