2-[[(3R,4S,7S,10S,11R)-3-Ethyl-11,15-Dihydroxy-3-Methyl-10-Methylamino-6,9-Dioxo-7-Propan-2-Yl2-Oxa-5,8-Diazabicyclo[10.3.1]Hexadeca-1(15),12(16),13-Triene-4-Carbonyl]Amino]Acetic Acid
[CAS# 158243-18-6]

Identification

• Name: 2-[[(3R,4S,7S,10S,11R)-3-Ethyl-11,15-Dihydroxy-3-Methyl-10-Methylamino-6,9-Dioxo-7-Propan-2-Yl2-Oxa-5,8-Diazabicyclo[10.3.1]Hexadeca-1(15),12(16),13-Triene-4-Carbonyl]Amino]Acetic Acid
• Synonyms: 2-[[(3R,4S,7S,10S,11R)-3-Ethyl-11,15-Dihydroxy-7-Isopropyl-3-Methyl-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-[[[(3R,4S,7S,10S,11R)-3-Ethyl-11,15-Dihydroxy-7-Isopropyl-3-Methyl-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-[[(3R,4S,7S,10S,11R)-3-Ethyl-11,15-Dihydroxy-7-Isopropyl-6,9-Diketo-3-Methyl-10-Methylamino-2-Oxa-5,8-Diazabicyclo[10.3.1]Hexadeca-1(15),12(16),13-Triene-4-Carbonyl]Amino]Acetic Acid
• Molecular Formula: C₂₃H₃₄N₄O₈
• Molecular Weight: 494.54
• CAS Registry Number: 158243-18-6
• SMILES: [C@@H]2(NC([C@@H](NC([C@H]([C@H](O)C1=CC=C(C(=C1)O[C@@]2(CC)C)O)NC)=O)C(C)C)=O)C(NCC(=O)O)=O
• InChI: 1S/C23H34N4O8/c1-6-23(4)19(22(34)25-10-15(29)30)27-20(32)16(11(2)3)26-21(33)17(24-5)18(31)12-7-8-13(28)14(9-12)35-23/h7-9,11,16-19,24,28,31H,6,10H2,1-5H3,(H,25,34)(H,26,33)(H,27,32)(H,29,30)/t16-,17-,18+,19+,23+/m0/s1
• InChIKey: GDXLZSYACWZHOC-ZNRYNLAGSA-N

Properties

• Density: 1.347g/cm³ (Cal.)
• Boiling point: 877.649°C at 760 mmHg (Cal.)
• Flash point: 484.585°C (Cal.)