(2S,3As,6R,7As)-N-[2-(1-Carbamimidoyl-2,5-Dihydro-1H-Pyrrol-3-Yl)Ethyl]-6-Hydroxy-1-[(2R)-2-{[(2R)-2-Hydroxy-3-Phenylpropanoyl]Amino}-3-Phenylpropanoyl]Octahydro-1H-Indole-2-Carboxamide (Non-Preferred Name)

Molecule SVG Image

Properties Simple | Detailed

Formula C34H44N6O5
IUPAC Name [[3-[2-[[(2s,3as,6r,7as)-6-hydroxy-1-[(2r)-2-[[(2r)-2-hydroxy-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]ethyl]-2,5-dihydropyrrol-1-yl]-azaniumylidene-methyl]azanide
Molecular Mass 616.750 g·mol−1
Heat of Formation -753.8 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 744.63 Å 3
Surface Area 494.53 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3as,6r,7as)-n-(2-{1-[amino(imino)methyl]-2,5-dihydro-1h-pyrrol-3-yl}ethyl)-6-hydroxy-1-{n-[(2s)-2-hydroxy-3-phenylpropanoyl]phenylalanyl}octahydro-1h-indole-2-carboxamide
  • (2s,3as,6r,7as)-n-[2-(1-amidino-3-pyrrolin-3-yl)ethyl]-6-hydroxy-1-[(2r)-2-[[(2r)-2-hydroxy-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
  • (2s,3as,6r,7as)-n-[2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)ethyl]-6-hydroxy-1-[(2r)-2-[[(2r)-2-hydroxy-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
  • (2s,3as,6r,7as)-n-[2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)ethyl]-6-hydroxy-1-[(2r)-2-[[(2r)-2-hydroxy-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
  • (2s,3as,6r,7as)-n-[2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)ethyl]-6-hydroxy-1-[(2r)-2-[[(2r)-2-hydroxy-3-phenylpropanoyl]amino]-3-phenylpropanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
  • osc
  • oscillarin, (2r,3as,6r,7as)-6-hydroxy-1-{(2r)-2-[(2r)-2-hydroxy-3-phenyl-propionylamino]-3-phenyl-propionyl}-octahydoro-indole-2-carboxylic acid [2-(1-carbamimidoyl-2,5-dihydro-1h-pyrrol-3-yl)-ethyl]-amide
InChIKey YNAKQOCSOOKXJP-VCNFNBSBSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N