N-[(2S)-1,4-Dihydroxy-2-Butanyl]-N~2~-(Phenylcarbamothioyl)-L-Leucinamide

Molecule SVG Image

Properties Simple | Detailed

Formula C17H27N3O3S
IUPAC Name (2s)-n-[(1s)-3-hydroxy-1-(hydroxymethyl)propyl]-4-methyl-2-(phenylcarbamothioylamino)pentanamide
Molecular Mass 353.480 g·mol−1
Heat of Formation -507.7 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 446.37 Å 3
Surface Area 381.61 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(1s)-3-hydroxy-1-(hydroxymethyl)propyl]-4-methyl-2-(phenylcarbamothioylamino)pentanamide
  • (2s)-n-[(1s)-3-hydroxy-1-(hydroxymethyl)propyl]-4-methyl-2-[[(phenylamino)-thioxomethyl]amino]pentanamide
  • (2s)-n-[(1s)-3-hydroxy-1-methylol-propyl]-4-methyl-2-(phenylthiocarbamoylamino)valeramide
  • (2s)-n-[(2s)-1,4-dihydroxybutan-2-yl]-4-methyl-2-(phenylcarbamothioylamino)pentanamide
  • n~2~-(anilinocarbonothioyl)-n-[(1s)-3-hydroxy-1-(hydroxymethyl)propyl]-l-leucinamide
  • snj-1715
InChIKey OXLJDYBAHYSQNA-GJZGRUSLSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N