Ethyl (4-{[(5R)-3-{4-[N-(Methoxycarbonyl)Carbamimidoyl]Phenyl}-2-Oxo-1,3-Oxazolidin-5-Yl]Methyl}Piperazin-1-Yl)Acetate

Molecule SVG Image

Properties Simple | Detailed

Formula C21H29N5O6
IUPAC Name ethyl 2-[4-[[(5r)-3-[4-[(e)-n'-methoxycarbonylcarbamimidoyl]phenyl]-2-oxo-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
Molecular Mass 447.485 g·mol−1
Heat of Formation -849.8 ± 16.7 kJ·mol−1
Dipole Moment 6.76 ± 1.08 D
Volume 533.53 Å 3
Surface Area 462.55 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[[(5r)-3-[4-(n'-carbomethoxycarbamimidoyl)phenyl]-2-keto-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid ethyl ester
  • 2-[4-[[(5r)-3-[4-[(z)-amino-methoxycarbonyliminomethyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]-1-piperazinyl]acetic acid ethyl ester
  • ethyl 2-[4-[[(5r)-3-[4-(n'-methoxycarbonylcarbamimidoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
  • ethyl 2-[4-[[(5r)-3-[4-(n'-methoxycarbonylcarbamimidoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]ethanoate
  • ethyl 2-[4-[[(5r)-3-[4-(n'-methoxycarbonylcarbamimidoyl)phenyl]-2-oxo-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
InChIKey YNBHAPKHWDNTMZ-QGZVFWFLSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N