N~2~-Benzoyl-N~5~-(Diaminomethylene)-L-Ornithyl-L-Methioninamide

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Properties Simple | Detailed

Formula C18H28N6O3S
IUPAC Name n-[(1s)-1-[[(1s)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-4-guanidino-butyl]benzamide
Molecular Mass 408.518 g·mol−1
Heat of Formation -453.0 ± 16.7 kJ·mol−1
Dipole Moment 5.96 ± 1.08 D
Volume 505.04 Å 3
Surface Area 441.44 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • bz-arg-met-nh2
  • n-[(1s)-1-[[(1s)-1-carbamoyl-3-(methylthio)propyl]carbamoyl]-4-guanidino-butyl]benzamide
  • n-[(1s)-1-[[(1s)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-4-guanidino-butyl]benzamide
  • n-[(1s)-1-[[[(1s)-1-carbamoyl-3-(methylthio)propyl]amino]-oxomethyl]-4-guanidinobutyl]benzamide
  • n-[(2s)-1-[[(2s)-1-amino-4-methylsulfanyl-1-oxo-butan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxo-pentan-2-yl]benzamide
  • n-benzoylarginyl-methioninamide
CAS Number(s)
  • 113849-03-9
InChIKey OBQHDGOHGZQEHX-KBPBESRZSA-N
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