Methyl N~5~-(Diaminomethylene)-N~2~-[4-(5,7-Difluoro-2-Phenyl-1H-Indol-3-Yl)Butanoyl]-L-Ornithinate

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Properties Simple | Detailed

Formula C25H29F2N5O3
IUPAC Name methyl (2s)-5-[bis(λ1-azanyl)methyleneamino]-2-[4-(5,7-difluoro-2-phenyl-indol-1-ium-7-id-3-yl)butanoylamino]pentanoate
Molecular Mass 485.526 g·mol−1
Heat of Formation -719.2 ± 16.7 kJ·mol−1
Dipole Moment 1.57 ± 1.08 D
Volume 582.07 Å 3
Surface Area 464.61 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 2.31 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[4-(5,7-difluoro-2-phenyl-1h-indol-3-yl)butanoylamino]-5-guanidino-valeric acid methyl ester
  • (2s)-2-[[4-(5,7-difluoro-2-phenyl-1h-indol-3-yl)-1-oxobutyl]amino]-5-guanidinopentanoic acid methyl ester
  • l-803,087
  • methyl (2s)-2-[4-(5,7-difluoro-2-phenyl-1h-indol-3-yl)butanoylamino]-5-guanidino-pentanoate
  • methyl (2s)-5-(diaminomethylideneamino)-2-[4-(5,7-difluoro-2-phenyl-1h-indol-3-yl)butanoylamino]pentanoate
InChIKey OPNMQSFIGUSHDH-FQEVSTJZSA-N
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