N~2~-Carbamimidoyl-N-{2-[4-(3-{4-[(5-Carboxy-2-Furyl)Methoxy]-2,3-Dichlorophenyl}-1-Methyl-1H-Pyrazol-5-Yl)-1-Piperidinyl]-2-Oxoethyl}-D-Leucinamide

Molecule SVG Image

Properties Simple | Detailed

Formula C30H37Cl2N7O6
IUPAC Name 5-[[2,3-dichloro-4-[5-[1-[2-[[(2r)-2-guanidino-4-methyl-pentanoyl]amino]acetyl]-4-piperidyl]-1-methyl-4h-pyrazol-1-ium-4-id-3-yl]phenoxy]methyl]furan-2-carboxylic acid
Molecular Mass 662.564 g·mol−1
Heat of Formation -722.9 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 754.17 Å 3
Surface Area 642.15 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[2,3-dichloro-4-(5-{1-[2-(2-guanidino-4-methyl-pentanoylamino)-acetyl]-piperidin-4-yl}-1-methyl-1h-pyrazol-3-yl)-phenoxymethyl]-furan-2-carboxylic acid
  • 5-[[2,3-dichloro-4-[5-[1-[2-[[(2r)-2-(diaminomethylideneamino)-4-methyl-pentanoyl]amino]ethanoyl]piperidin-4-yl]-1-methyl-pyrazol-3-yl]phenoxy]methyl]furan-2-carboxylic acid
  • 5-[[2,3-dichloro-4-[5-[1-[2-[[(2r)-2-(diaminomethylideneamino)-4-methylpentanoyl]amino]acetyl]piperidin-4-yl]-1-methylpyrazol-3-yl]phenoxy]methyl]furan-2-carboxylic acid
  • 5-[[2,3-dichloro-4-[5-[1-[2-[[(2r)-2-guanidino-4-methyl-1-oxopentyl]amino]-1-oxoethyl]-4-piperidinyl]-1-methyl-3-pyrazolyl]phenoxy]methyl]-2-furancarboxylic acid
  • 5-[[2,3-dichloro-4-[5-[1-[2-[[(2r)-2-guanidino-4-methyl-pentanoyl]amino]acetyl]-4-piperidyl]-1-methyl-pyrazol-3-yl]phenoxy]methyl]-2-furoic acid
  • 5-[[2,3-dichloro-4-[5-[1-[2-[[(2r)-2-guanidino-4-methyl-pentanoyl]amino]acetyl]-4-piperidyl]-1-methyl-pyrazol-3-yl]phenoxy]methyl]furan-2-carboxylic acid
  • frh
InChIKey VNZHOIDQBPFEJU-OAQYLSRUSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C Cl O N