2-[[3-Ethyl-11,15-Dihydroxy-13-(2-Hydroxyethylsulfinyl)-3,7-Dimethyl-10-Methylamino-6,9-Dioxo2-Oxa-5,8-Diazabicyclo[10.3.1]Hexadeca-1(15),12(16),13-Triene-4-Carbonyl]Amino]Acetic Acid
[CAS# 158274-98-7]

Identification

• Name: 2-[[3-Ethyl-11,15-Dihydroxy-13-(2-Hydroxyethylsulfinyl)-3,7-Dimethyl-10-Methylamino-6,9-Dioxo2-Oxa-5,8-Diazabicyclo[10.3.1]Hexadeca-1(15),12(16),13-Triene-4-Carbonyl]Amino]Acetic Acid
• Synonyms: 2-[[3-Ethyl-11,15-Dihydroxy-13-(2-Hydroxyethylsulfinyl)-3,7-Dimethyl-10-Methylamino-6,9-Dioxo-2-Oxa-5,8-Diazabicyclo[10.3.1]Hexadeca-1(15),12(16),13-Triene-4-Carbonyl]Amino]Acetic Acid; 2-[[[3-Ethyl-11,15-Dihydroxy-13-(2-Hydroxyethylsulfinyl)-3,7-Dimethyl-10-Methylamino-6,9-Dioxo-2-Oxa-5,8-Diazabicyclo[10.3.1]Hexadeca-1(15),12(16),13-Trien-4-Yl]-Oxomethyl]Amino]Acetic Acid; 2-[[3-Ethyl-11,15-Dihydroxy-13-(2-Hydroxyethylsulfinyl)-6,9-Diketo-3,7-Dimethyl-10-Methylamino-2-Oxa-5,8-Diazabicyclo[10.3.1]Hexadeca-1(15),12(16),13-Triene-4-Carbonyl]Amino]Acetic Acid
• Molecular Formula: C₂₃H₃₄N₄O₁₀S
• Molecular Weight: 558.60
• CAS Registry Number: 158274-98-7
• SMILES: C(C(=O)O)NC(C2NC(C(NC(C(C(C1=C(C=C(O)C(=C1)OC2(CC)C)[S](=O)CCO)O)NC)=O)C)=O)=O
• InChI: 1S/C23H34N4O10S/c1-5-23(3)19(22(35)25-10-16(30)31)27-20(33)11(2)26-21(34)17(24-4)18(32)12-8-14(37-23)13(29)9-15(12)38(36)7-6-28/h8-9,11,17-19,24,28-29,32H,5-7,10H2,1-4H3,(H,25,35)(H,26,34)(H,27,33)(H,30,31)
• InChIKey: GLUWKRSBTMPQNR-UHFFFAOYSA-N

Properties

• Density: 1.497g/cm³ (Cal.)
• Boiling point: 1010.637°C at 760 mmHg (Cal.)
• Flash point: 565.013°C (Cal.)