(2R)-2,4-Dihydroxy-N-[3-({2-[(6-Hydroxy-2-Oxo-2,3-Dihydro-1H-Naphtho[2,1-B][1,4]Thiazin-5-Yl)Sulfanyl]Ethyl}Amino)-3-Oxopropyl]-3,3-Dimethylbutanamide

Molecule SVG Image

Properties Simple | Detailed

Formula C23H29N3O6S2
IUPAC Name (2r)-2,4-dihydroxy-n-[3-[2-[(6-hydroxy-2-oxo-1h-benzo[f][1,4]benzothiazin-5-yl)sulfanyl]ethylamino]-3-oxo-propyl]-3,3-dimethyl-butanamide
Molecular Mass 507.623 g·mol−1
Heat of Formation -1046.8 ± 16.7 kJ·mol−1
Dipole Moment 2.36 ± 1.08 D
Volume 584.01 Å 3
Surface Area 440.94 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2,4-dihydroxy-n-[3-[2-[(6-hydroxy-2-keto-1h-benzo[f][1,4]benzothiazin-5-yl)thio]ethylamino]-3-keto-propyl]-3,3-dimethyl-butyramide
  • (2r)-2,4-dihydroxy-n-[3-[2-[(6-hydroxy-2-oxo-1h-benzo[f][1,4]benzothiazin-5-yl)sulfanyl]ethylamino]-3-oxo-propyl]-3,3-dimethyl-butanamide
  • (2r)-2,4-dihydroxy-n-[3-[2-[(6-hydroxy-2-oxo-1h-benzo[f][1,4]benzothiazin-5-yl)thio]ethylamino]-3-oxopropyl]-3,3-dimethylbutanamide
  • (r)-n-(3-((2-((2,3-dihydro-6-hydroxy-2-oxo-1h-naphtho(2,1-b)(1,4)thiazin-5-yl)thio)ethyl)amino)-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
  • butanamide, n-(3-((2-((2,3-dihydro-6-hydroxy-2-oxo-1h-naphtho(2,1-b)(1,4)thiazin-5-yl)thio)ethyl)amino)-3-oxopropyl)-2,4-dihydroxy-3,3-dimethyl-, (r)-
  • fr 901537
  • fr-901537
  • n-(2-(2-(2,3-dihydro-6-hydroxy-2-oxo-1h-naphtho(2,1-b)(1,4)thiazin-5-ylthio)ethylaminocarbonyl)ethyl)-2,4-dihydroxy-3,3-dimethylbutyramide
CAS Number(s)
  • 161162-21-6
InChIKey HKEFKAJRMICMPZ-NRFANRHFSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N